2-(4-methylpent-1-yn-3-yl)thiazinane 1,1-dioxide

C10H17NO2S — CID 130481421

IUPAC2-(4-methylpent-1-yn-3-yl)thiazinane 1,1-dioxide
SMILESC#CC(C(C)C)N1CCCCS1(=O)=O
InChIInChI=1S/C10H17NO2S/c1-4-10(9(2)3)11-7-5-6-8-14(11,12)13/h1,9-10H,5-8H2,2-3H3
InChIKeyBUFMHPAXLSODGU-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.07
Rot. Bonds2

About 2-(4-methylpent-1-yn-3-yl)thiazinane 1,1-dioxide

2-(4-methylpent-1-yn-3-yl)thiazinane 1,1-dioxide (PubChem CID 130481421) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-(4-methylpent-1-yn-3-yl)thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-(4-methylpent-1-yn-3-yl)thiazinane 1,1-dioxide
PubChem CID130481421
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name2-(4-methylpent-1-yn-3-yl)thiazinane 1,1-dioxide
SMILESC#CC(C(C)C)N1CCCCS1(=O)=O
InChIInChI=1S/C10H17NO2S/c1-4-10(9(2)3)11-7-5-6-8-14(11,12)13/h1,9-10H,5-8H2,2-3H3
InChIKeyBUFMHPAXLSODGU-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-propan-2-ylthiazinane 1,1-dioxide
CID 164956679
4-methyl-2-(4-methylpent-1-yn-3-yl)-1,2-thiazolidine 1,1-dioxide
CID 130481412
(2S)-2-N-[(2S)-2-(1,1-dioxothiazinan-2-yl)propyl]-3-methylbutane-1,2-diamine
CID 129117753
2-(1,1-dioxothiazinan-2-yl)-4-methylpentan-1-ol
CID 116816702
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylpentan-1-ol
CID 106353513
(2,5-dioxopyrrolidin-1-yl) (2S)-2-(1,1-dioxothiazinan-2-yl)-3-methylbutanoate
CID 134397902
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylpropan-1-amine
CID 130158324
2-(1,1-dioxothiazinan-2-yl)pentanoic acid
CID 116814416
3-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid
CID 43361089
2-tert-butylthiazinane 1,1-dioxide;2-tert-butyl-1,2-thiazolidine 1,1-dioxide
CID 158323141
2-(2-methylbut-3-yn-2-yl)thiazinane 1,1-dioxide
CID 116816826
4-[3-[1-(1,1-dioxothiazinan-2-yl)ethyl]phenyl]but-3-yn-1-ol
CID 116816647

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpent-1-yn-3-yl)thiazinane 1,1-dioxide?
The IUPAC name of 2-(4-methylpent-1-yn-3-yl)thiazinane 1,1-dioxide (CID 130481421) is 2-(4-methylpent-1-yn-3-yl)thiazinane 1,1-dioxide.
What is the SMILES notation for 2-(4-methylpent-1-yn-3-yl)thiazinane 1,1-dioxide?
The canonical SMILES for 2-(4-methylpent-1-yn-3-yl)thiazinane 1,1-dioxide is C#CC(C(C)C)N1CCCCS1(=O)=O.
What is the InChIKey of 2-(4-methylpent-1-yn-3-yl)thiazinane 1,1-dioxide?
The InChIKey is BUFMHPAXLSODGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-4-10(9(2)3)11-7-5-6-8-14(11,12)13/h1,9-10H,5-8H2,2-3H3.
What are the key properties of 2-(4-methylpent-1-yn-3-yl)thiazinane 1,1-dioxide?
2-(4-methylpent-1-yn-3-yl)thiazinane 1,1-dioxide has a molecular weight of 215.32 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpent-1-yn-3-yl)thiazinane 1,1-dioxide is sourced from PubChem (CID 130481421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).