2,2,4,4-tetramethyl-3-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-ylidene)thietane 1,1-dioxide

C14H24O4S2 — CID 13396195

IUPAC2,2,4,4-tetramethyl-3-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-ylidene)thietane 1,1-dioxide
SMILESCC1(C)C(=C2C(C)(C)S(=O)(=O)C2(C)C)C(C)(C)S1(=O)=O
InChIInChI=1S/C14H24O4S2/c1-11(2)9(12(3,4)19(11,15)16)10-13(5,6)20(17,18)14(10,7)8/h1-8H3
InChIKeyKHYVJQKQKOQDPB-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.25
Rot. Bonds

About 2,2,4,4-tetramethyl-3-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-ylidene)thietane 1,1-dioxide

2,2,4,4-tetramethyl-3-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-ylidene)thietane 1,1-dioxide (PubChem CID 13396195) has the molecular formula C14H24O4S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-3-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-ylidene)thietane 1,1-dioxide.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-3-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-ylidene)thietane 1,1-dioxide
PubChem CID13396195
Molecular FormulaC14H24O4S2
Molecular Weight320.48 g/mol
Exact Mass320.11
IUPAC Name2,2,4,4-tetramethyl-3-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-ylidene)thietane 1,1-dioxide
SMILESCC1(C)C(=C2C(C)(C)S(=O)(=O)C2(C)C)C(C)(C)S1(=O)=O
InChIInChI=1S/C14H24O4S2/c1-11(2)9(12(3,4)19(11,15)16)10-13(5,6)20(17,18)14(10,7)8/h1-8H3
InChIKeyKHYVJQKQKOQDPB-UHFFFAOYSA-N
XLogP2.25
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,4,5-tetramethylthiolane 1,1-dioxide
CID 54264007
3,4,5,5-tetramethyloxathiole 2,2-dioxide
CID 89449211
4,4,5,6-tetramethyl-1,3,2-dioxathiine 2,2-dioxide
CID 146259171
3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide
CID 21394477
4-N,4-N,4-N',4-N'-tetramethyl-2,2-dioxo-1,3,2-dioxathietane-4,4-diamine
CID 175706695
3,3-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
CID 58781649
5,5-dimethyl-1,1-dioxo-1,4-thiazinan-3-one
CID 91618831
(5S)-3,3,5-trimethyl-4,5-dihydro-2H-1λ6-benzothiepine 1,1-dioxide
CID 59097098
(1R,6R)-1-methyl-9λ6-thiabicyclo[4.2.1]nona-2,4,7-triene 9,9-dioxide
CID 98162265
8,8-dimethyl-1,1-dioxo-1,2,6-thiadiazocan-7-one
CID 100935290
2,4,4,6,6-pentamethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 155311776
4-methyl-1,1-dioxothian-4-ol
CID 58387715

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-3-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-ylidene)thietane 1,1-dioxide?
The IUPAC name of 2,2,4,4-tetramethyl-3-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-ylidene)thietane 1,1-dioxide (CID 13396195) is 2,2,4,4-tetramethyl-3-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-ylidene)thietane 1,1-dioxide.
What is the SMILES notation for 2,2,4,4-tetramethyl-3-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-ylidene)thietane 1,1-dioxide?
The canonical SMILES for 2,2,4,4-tetramethyl-3-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-ylidene)thietane 1,1-dioxide is CC1(C)C(=C2C(C)(C)S(=O)(=O)C2(C)C)C(C)(C)S1(=O)=O.
What is the InChIKey of 2,2,4,4-tetramethyl-3-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-ylidene)thietane 1,1-dioxide?
The InChIKey is KHYVJQKQKOQDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4S2/c1-11(2)9(12(3,4)19(11,15)16)10-13(5,6)20(17,18)14(10,7)8/h1-8H3.
What are the key properties of 2,2,4,4-tetramethyl-3-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-ylidene)thietane 1,1-dioxide?
2,2,4,4-tetramethyl-3-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-ylidene)thietane 1,1-dioxide has a molecular weight of 320.48 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-3-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-ylidene)thietane 1,1-dioxide is sourced from PubChem (CID 13396195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).