3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide;3-methyl-1,4-thiazinane 1,1-dioxide;trimethyl-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]silane;3-trimethylsilylprop-2-ynal

C30H55N3O7S3Si2 — CID 160764066

IUPAC3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide;3-methyl-1,4-thiazinane 1,1-dioxide;trimethyl-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]silane;3-trimethylsilylprop-2-ynal
SMILESC#CCN1CCS(=O)(=O)CC1C.CC1CS(=O)(=O)CCN1.CC1CS(=O)(=O)CCN1CC#C[Si](C)(C)C.C[Si](C)(C)C#CC=O
InChIInChI=1S/C11H21NO2SSi.C8H13NO2S.C6H10OSi.C5H11NO2S/c1-11-10-15(13,14)8-7-12(11)6-5-9-16(2,3)4;1-3-4-9-5-6-12(10,11)7-8(9)2;1-8(2,3)6-4-5-7;1-5-4-9(7,8)3-2-6-5/h11H,6-8,10H2,1-4H3;1,8H,4-7H2,2H3;5H,1-3H3;5-6H,2-4H2,1H3
InChIKeyRYLKDPNOODQVJJ-UHFFFAOYSA-N
MW722.16 g/mol
LogP1.18
Rot. Bonds2

About 3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide;3-methyl-1,4-thiazinane 1,1-dioxide;trimethyl-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]silane;3-trimethylsilylprop-2-ynal

3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide;3-methyl-1,4-thiazinane 1,1-dioxide;trimethyl-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]silane;3-trimethylsilylprop-2-ynal (PubChem CID 160764066) has the molecular formula C30H55N3O7S3Si2 and a molecular weight of 722.16 g/mol. Its IUPAC name is 3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide;3-methyl-1,4-thiazinane 1,1-dioxide;trimethyl-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]silane;3-trimethylsilylprop-2-ynal.

Molecular Properties

Compound Name3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide;3-methyl-1,4-thiazinane 1,1-dioxide;trimethyl-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]silane;3-trimethylsilylprop-2-ynal
PubChem CID160764066
Molecular FormulaC30H55N3O7S3Si2
Molecular Weight722.16 g/mol
Exact Mass721.27
IUPAC Name3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide;3-methyl-1,4-thiazinane 1,1-dioxide;trimethyl-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]silane;3-trimethylsilylprop-2-ynal
SMILESC#CCN1CCS(=O)(=O)CC1C.CC1CS(=O)(=O)CCN1.CC1CS(=O)(=O)CCN1CC#C[Si](C)(C)C.C[Si](C)(C)C#CC=O
InChIInChI=1S/C11H21NO2SSi.C8H13NO2S.C6H10OSi.C5H11NO2S/c1-11-10-15(13,14)8-7-12(11)6-5-9-16(2,3)4;1-3-4-9-5-6-12(10,11)7-8(9)2;1-8(2,3)6-4-5-7;1-5-4-9(7,8)3-2-6-5/h11H,6-8,10H2,1-4H3;1,8H,4-7H2,2H3;5H,1-3H3;5-6H,2-4H2,1H3
InChIKeyRYLKDPNOODQVJJ-UHFFFAOYSA-N
XLogP1.18
TPSA138.00 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500722.16
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide;3-methyl-1,4-thiazinane 1,1-dioxide;trimethyl-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]silane;3-trimethylsilylprop-2-ynal with MolForge

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Related Compounds

3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide
CID 103684411
2-(1,1-dioxo-4-prop-2-ynyl-1,4-thiazinan-3-yl)acetic acid
CID 80519378
4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885899
3-methyl-4-(morpholin-2-ylmethyl)-1,4-thiazinane 1,1-dioxide
CID 102883644
4-[2-(azetidin-3-yl)ethyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102884162
1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine
CID 102884145
4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102883139
2-(4-but-2-ynyl-1,1-dioxo-1,4-thiazinan-3-yl)acetic acid
CID 80519473
3-methyl-1-prop-2-ynylpiperazine
CID 64926095
2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 103878593
7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine
CID 102884168
(3R)-4-[(3S)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348667

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide;3-methyl-1,4-thiazinane 1,1-dioxide;trimethyl-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]silane;3-trimethylsilylprop-2-ynal?
The IUPAC name of 3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide;3-methyl-1,4-thiazinane 1,1-dioxide;trimethyl-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]silane;3-trimethylsilylprop-2-ynal (CID 160764066) is 3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide;3-methyl-1,4-thiazinane 1,1-dioxide;trimethyl-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]silane;3-trimethylsilylprop-2-ynal.
What is the SMILES notation for 3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide;3-methyl-1,4-thiazinane 1,1-dioxide;trimethyl-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]silane;3-trimethylsilylprop-2-ynal?
The canonical SMILES for 3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide;3-methyl-1,4-thiazinane 1,1-dioxide;trimethyl-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]silane;3-trimethylsilylprop-2-ynal is C#CCN1CCS(=O)(=O)CC1C.CC1CS(=O)(=O)CCN1.CC1CS(=O)(=O)CCN1CC#C[Si](C)(C)C.C[Si](C)(C)C#CC=O.
What is the InChIKey of 3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide;3-methyl-1,4-thiazinane 1,1-dioxide;trimethyl-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]silane;3-trimethylsilylprop-2-ynal?
The InChIKey is RYLKDPNOODQVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2SSi.C8H13NO2S.C6H10OSi.C5H11NO2S/c1-11-10-15(13,14)8-7-12(11)6-5-9-16(2,3)4;1-3-4-9-5-6-12(10,11)7-8(9)2;1-8(2,3)6-4-5-7;1-5-4-9(7,8)3-2-6-5/h11H,6-8,10H2,1-4H3;1,8H,4-7H2,2H3;5H,1-3H3;5-6H,2-4H2,1H3.
What are the key properties of 3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide;3-methyl-1,4-thiazinane 1,1-dioxide;trimethyl-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]silane;3-trimethylsilylprop-2-ynal?
3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide;3-methyl-1,4-thiazinane 1,1-dioxide;trimethyl-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]silane;3-trimethylsilylprop-2-ynal has a molecular weight of 722.16 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide;3-methyl-1,4-thiazinane 1,1-dioxide;trimethyl-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]silane;3-trimethylsilylprop-2-ynal is sourced from PubChem (CID 160764066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).