N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

C6H11NO3S — CID 7114858

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C6H11NO3S/c1-5(8)7-6-2-3-11(9,10)4-6/h6H,2-4H2,1H3,(H,7,8)/t6-/m0/s1
InChIKeyZCJFCJXAGKPMHF-LURJTMIESA-N
MW177.22 g/mol
LogP-0.69
Rot. Bonds1

About N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 7114858) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID7114858
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C6H11NO3S/c1-5(8)7-6-2-3-11(9,10)4-6/h6H,2-4H2,1H3,(H,7,8)/t6-/m0/s1
InChIKeyZCJFCJXAGKPMHF-LURJTMIESA-N
XLogP-0.69
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
CID 7102189
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
N-(1,1-dioxothiolan-3-yl)-2-methylprop-2-enamide
CID 3806585
methyl N-(1,1-dioxothiolan-3-yl)carbamate
CID 2999519
(3R)-3-acetamido-N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide
CID 95271977
N-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)oxamide
CID 108526860
N-(1,1-dioxothiolan-3-yl)carbamoyl iodide
CID 126633838
3-[(3R)-1,1-dioxothiolan-3-yl]-1,1-dimethylurea
CID 7361259
4-[(1,1-dioxothiolan-3-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991603
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)propanamide
CID 78972072
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-methylcyclohexyl)urea
CID 98160954
N-(1,1-dioxothiolan-3-yl)butanamide
CID 18573523

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (CID 7114858) is N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is CC(=O)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is ZCJFCJXAGKPMHF-LURJTMIESA-N. The full InChI is InChI=1S/C6H11NO3S/c1-5(8)7-6-2-3-11(9,10)4-6/h6H,2-4H2,1H3,(H,7,8)/t6-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
N-[(3S)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 177.22 g/mol, XLogP of -0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 7114858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).