2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide

C7H13NO3S2 — CID 47116316

IUPAC2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide
SMILESCNC(=O)CSC1CCS(=O)(=O)C1
InChIInChI=1S/C7H13NO3S2/c1-8-7(9)4-12-6-2-3-13(10,11)5-6/h6H,2-5H2,1H3,(H,8,9)
InChIKeyBGMPEUJBVSUCRR-UHFFFAOYSA-N
MW223.32 g/mol
LogP-0.35
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide (PubChem CID 47116316) has the molecular formula C7H13NO3S2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide
PubChem CID47116316
Molecular FormulaC7H13NO3S2
Molecular Weight223.32 g/mol
Exact Mass223.03
IUPAC Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide
SMILESCNC(=O)CSC1CCS(=O)(=O)C1
InChIInChI=1S/C7H13NO3S2/c1-8-7(9)4-12-6-2-3-13(10,11)5-6/h6H,2-5H2,1H3,(H,8,9)
InChIKeyBGMPEUJBVSUCRR-UHFFFAOYSA-N
XLogP-0.35
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 60666980
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methoxyethoxy)acetamide
CID 79676127
N-cyano-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 79194937
2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 96525545
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103895256
2-(1,1-dioxothiolan-3-yl)sulfanylacetate
CID 3094616
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103750856
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114631231
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108411
methyl 2-[[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]-3-methylbutanoate
CID 43406890
ethyl 2-(1,1-dioxothiolan-3-yl)sulfanylacetate
CID 78912204
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103798941

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide (CID 47116316) is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide is CNC(=O)CSC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide?
The InChIKey is BGMPEUJBVSUCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S2/c1-8-7(9)4-12-6-2-3-13(10,11)5-6/h6H,2-5H2,1H3,(H,8,9).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide?
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide has a molecular weight of 223.32 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide is sourced from PubChem (CID 47116316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).