(S)-N-(2-methylpropyl)methanesulfinamide

C5H13NOS — CID 169492063

IUPAC(S)-N-(2-methylpropyl)methanesulfinamide
SMILESCC(C)CN[S@](C)=O
InChIInChI=1S/C5H13NOS/c1-5(2)4-6-8(3)7/h5-6H,4H2,1-3H3/t8-/m0/s1
InChIKeyVFLDFAWXTAXWNN-QMMMGPOBSA-N
MW135.23 g/mol
LogP0.53
Rot. Bonds3

About (S)-N-(2-methylpropyl)methanesulfinamide

(S)-N-(2-methylpropyl)methanesulfinamide (PubChem CID 169492063) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is (S)-N-(2-methylpropyl)methanesulfinamide.

Molecular Properties

Compound Name(S)-N-(2-methylpropyl)methanesulfinamide
PubChem CID169492063
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC Name(S)-N-(2-methylpropyl)methanesulfinamide
SMILESCC(C)CN[S@](C)=O
InChIInChI=1S/C5H13NOS/c1-5(2)4-6-8(3)7/h5-6H,4H2,1-3H3/t8-/m0/s1
InChIKeyVFLDFAWXTAXWNN-QMMMGPOBSA-N
XLogP0.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (S)-N-(2-methylpropyl)methanesulfinamide 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 (S)-N-(2-methylpropyl)methanesulfinamide?
The IUPAC name of (S)-N-(2-methylpropyl)methanesulfinamide (CID 169492063) is (S)-N-(2-methylpropyl)methanesulfinamide.
What is the SMILES notation for (S)-N-(2-methylpropyl)methanesulfinamide?
The canonical SMILES for (S)-N-(2-methylpropyl)methanesulfinamide is CC(C)CN[S@](C)=O.
What is the InChIKey of (S)-N-(2-methylpropyl)methanesulfinamide?
The InChIKey is VFLDFAWXTAXWNN-QMMMGPOBSA-N. The full InChI is InChI=1S/C5H13NOS/c1-5(2)4-6-8(3)7/h5-6H,4H2,1-3H3/t8-/m0/s1.
What are the key properties of (S)-N-(2-methylpropyl)methanesulfinamide?
(S)-N-(2-methylpropyl)methanesulfinamide has a molecular weight of 135.23 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-(2-methylpropyl)methanesulfinamide is sourced from PubChem (CID 169492063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).