(3S)-N,N-dimethyl-1,1-dioxo-2,3-dihydrothiophen-3-amine

C6H11NO2S — CID 7452124

IUPAC(3S)-N,N-dimethyl-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESCN(C)[C@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C6H11NO2S/c1-7(2)6-3-4-10(8,9)5-6/h3-4,6H,5H2,1-2H3/t6-/m0/s1
InChIKeyDTGLDQIBKFKDDI-LURJTMIESA-N
MW161.23 g/mol
LogP-0.14
Rot. Bonds1

About (3S)-N,N-dimethyl-1,1-dioxo-2,3-dihydrothiophen-3-amine

(3S)-N,N-dimethyl-1,1-dioxo-2,3-dihydrothiophen-3-amine (PubChem CID 7452124) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-1,1-dioxo-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-1,1-dioxo-2,3-dihydrothiophen-3-amine
PubChem CID7452124
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name(3S)-N,N-dimethyl-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESCN(C)[C@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C6H11NO2S/c1-7(2)6-3-4-10(8,9)5-6/h3-4,6H,5H2,1-2H3/t6-/m0/s1
InChIKeyDTGLDQIBKFKDDI-LURJTMIESA-N
XLogP-0.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-N,N-dimethyl-1,1-dioxo-2,3-dihydrothiophen-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

Related Compounds

N,N-dimethyl-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 304007
N,N-dimethyl-1-methylsulfonylbut-3-en-1-amine
CID 22082534
(3S)-N-methyl-1,1-dioxo-N-prop-2-enylthiolan-3-amine
CID 52146666
3-(Methylamino)-2,3-dihydro-1lambda6-thiophene-1,1-dione
CID 58168806
1,1-dioxo-N-propan-2-yl-2,3-dihydrothiophen-3-amine
CID 60694991
N-methyl-1,1-dioxo-N-prop-2-enylthiolan-3-amine
CID 75791858
2-(Dimethylamino)but-3-ene-1-sulfonic acid;hydrochloride
CID 87696648
(1,1-Dioxo-2,3-dihydrothiophen-3-yl)-trimethylazanium
CID 406993
(3R)-3-(aziridin-1-yl)-2,3-dihydrothiophene 1,1-dioxide
CID 1835421
(3S)-3-(aziridin-1-yl)-2,3-dihydrothiophene 1,1-dioxide
CID 1835423
3-(Aziridin-1-yl)-2,3-dihydrothiophene 1,1-dioxide
CID 3701664
4-(Dimethylamino)-4,5-dihydrothiophene-1,1-dione
CID 3833223

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The IUPAC name of (3S)-N,N-dimethyl-1,1-dioxo-2,3-dihydrothiophen-3-amine (CID 7452124) is (3S)-N,N-dimethyl-1,1-dioxo-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for (3S)-N,N-dimethyl-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The canonical SMILES for (3S)-N,N-dimethyl-1,1-dioxo-2,3-dihydrothiophen-3-amine is CN(C)[C@H]1C=CS(=O)(=O)C1.
What is the InChIKey of (3S)-N,N-dimethyl-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The InChIKey is DTGLDQIBKFKDDI-LURJTMIESA-N. The full InChI is InChI=1S/C6H11NO2S/c1-7(2)6-3-4-10(8,9)5-6/h3-4,6H,5H2,1-2H3/t6-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-1,1-dioxo-2,3-dihydrothiophen-3-amine?
(3S)-N,N-dimethyl-1,1-dioxo-2,3-dihydrothiophen-3-amine has a molecular weight of 161.23 g/mol, XLogP of -0.14, 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-dioxo-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 7452124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).