(3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine

C6H13NO2S — CID 7211727

IUPAC(3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine
SMILESCN(C)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C6H13NO2S/c1-7(2)6-3-4-10(8,9)5-6/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyHHOQXOUQXSMWDD-LURJTMIESA-N
MW163.24 g/mol
LogP-0.20
Rot. Bonds1

About (3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine

(3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine (PubChem CID 7211727) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine
PubChem CID7211727
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name(3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine
SMILESCN(C)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C6H13NO2S/c1-7(2)6-3-4-10(8,9)5-6/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyHHOQXOUQXSMWDD-LURJTMIESA-N
XLogP-0.20
TPSA45.80 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity202

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine?
The IUPAC name of (3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine (CID 7211727) is (3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for (3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for (3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine is CN(C)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine?
The InChIKey is HHOQXOUQXSMWDD-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO2S/c1-7(2)6-3-4-10(8,9)5-6/h6H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine?
(3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine has a molecular weight of 163.24 g/mol, XLogP of -0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 7211727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).