N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide

C10H19NO3S2 — CID 60666980

IUPACN-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
SMILESCC(C)(C)NC(=O)CSC1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO3S2/c1-10(2,3)11-9(12)6-15-8-4-5-16(13,14)7-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyMSPXFGKMLZAFSZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.82
Rot. Bonds3

About N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide

N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide (PubChem CID 60666980) has the molecular formula C10H19NO3S2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
PubChem CID60666980
Molecular FormulaC10H19NO3S2
Molecular Weight265.40 g/mol
Exact Mass265.08
IUPAC NameN-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
SMILESCC(C)(C)NC(=O)CSC1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO3S2/c1-10(2,3)11-9(12)6-15-8-4-5-16(13,14)7-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyMSPXFGKMLZAFSZ-UHFFFAOYSA-N
XLogP0.82
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103895256
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide
CID 47116316
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-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
CID 113476121
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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide?
The IUPAC name of N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide (CID 60666980) is N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide.
What is the SMILES notation for N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide?
The canonical SMILES for N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide is CC(C)(C)NC(=O)CSC1CCS(=O)(=O)C1.
What is the InChIKey of N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide?
The InChIKey is MSPXFGKMLZAFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S2/c1-10(2,3)11-9(12)6-15-8-4-5-16(13,14)7-8/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide?
N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide has a molecular weight of 265.40 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide is sourced from PubChem (CID 60666980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).