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

C5H9NO2S — CID 55288416

IUPAC(3S)-N-methyl-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESCN[C@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C5H9NO2S/c1-6-5-2-3-9(7,8)4-5/h2-3,5-6H,4H2,1H3/t5-/m0/s1
InChIKeyLEVSUGRYFRVRLW-YFKPBYRVSA-N
MW147.20 g/mol
LogP-0.48
Rot. Bonds1

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

(3S)-N-methyl-1,1-dioxo-2,3-dihydrothiophen-3-amine (PubChem CID 55288416) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is (3S)-N-methyl-1,1-dioxo-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound Name(3S)-N-methyl-1,1-dioxo-2,3-dihydrothiophen-3-amine
PubChem CID55288416
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name(3S)-N-methyl-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESCN[C@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C5H9NO2S/c1-6-5-2-3-9(7,8)4-5/h2-3,5-6H,4H2,1H3/t5-/m0/s1
InChIKeyLEVSUGRYFRVRLW-YFKPBYRVSA-N
XLogP-0.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The IUPAC name of (3S)-N-methyl-1,1-dioxo-2,3-dihydrothiophen-3-amine (CID 55288416) is (3S)-N-methyl-1,1-dioxo-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for (3S)-N-methyl-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The canonical SMILES for (3S)-N-methyl-1,1-dioxo-2,3-dihydrothiophen-3-amine is CN[C@H]1C=CS(=O)(=O)C1.
What is the InChIKey of (3S)-N-methyl-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The InChIKey is LEVSUGRYFRVRLW-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-6-5-2-3-9(7,8)4-5/h2-3,5-6H,4H2,1H3/t5-/m0/s1.
What are the key properties of (3S)-N-methyl-1,1-dioxo-2,3-dihydrothiophen-3-amine?
(3S)-N-methyl-1,1-dioxo-2,3-dihydrothiophen-3-amine has a molecular weight of 147.20 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-1,1-dioxo-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 55288416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).