(S)-N-propan-2-ylmethanesulfinamide

C4H11NOS — CID 166081193

IUPAC(S)-N-propan-2-ylmethanesulfinamide
SMILESCC(C)N[S@](C)=O
InChIInChI=1S/C4H11NOS/c1-4(2)5-7(3)6/h4-5H,1-3H3/t7-/m0/s1
InChIKeyIKNHOFJOFMJHJL-ZETCQYMHSA-N
MW121.20 g/mol
LogP0.28
Rot. Bonds2

About (S)-N-propan-2-ylmethanesulfinamide

(S)-N-propan-2-ylmethanesulfinamide (PubChem CID 166081193) has the molecular formula C4H11NOS and a molecular weight of 121.20 g/mol. Its IUPAC name is (S)-N-propan-2-ylmethanesulfinamide.

Molecular Properties

Compound Name(S)-N-propan-2-ylmethanesulfinamide
PubChem CID166081193
Molecular FormulaC4H11NOS
Molecular Weight121.20 g/mol
Exact Mass121.06
IUPAC Name(S)-N-propan-2-ylmethanesulfinamide
SMILESCC(C)N[S@](C)=O
InChIInChI=1S/C4H11NOS/c1-4(2)5-7(3)6/h4-5H,1-3H3/t7-/m0/s1
InChIKeyIKNHOFJOFMJHJL-ZETCQYMHSA-N
XLogP0.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.20
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(propan-2-yl)methanesulfonamide
CID 312702
N-isobutylmethanesulfinamide
CID 72437066
N-(2-methylpropyl)methanesulinamide
CID 169492063
N-(1-Methylpropyl)methanesulfonamide
CID 4075930
N-(pentan-3-yl)methanesulfonamide
CID 5157236
N-methylsulfanylpropan-2-amine
CID 12350759
N-propan-2-ylmethanesulfinamide
CID 14896695
N-propan-2-ylethanesulfinamide
CID 14896696
N-propan-2-ylpropane-2-sulfinamide
CID 14896697
N-ethylmethanesulfinamide
CID 54398806
N-(2-methylpropyl)-N-tritiomethanesulfinamide
CID 58826094
N-(methyl-methylidene-oxo-lambda6-sulfanyl)propan-2-amine
CID 59588508

Frequently Asked Questions

What is the IUPAC name of (S)-N-propan-2-ylmethanesulfinamide?
The IUPAC name of (S)-N-propan-2-ylmethanesulfinamide (CID 166081193) is (S)-N-propan-2-ylmethanesulfinamide.
What is the SMILES notation for (S)-N-propan-2-ylmethanesulfinamide?
The canonical SMILES for (S)-N-propan-2-ylmethanesulfinamide is CC(C)N[S@](C)=O.
What is the InChIKey of (S)-N-propan-2-ylmethanesulfinamide?
The InChIKey is IKNHOFJOFMJHJL-ZETCQYMHSA-N. The full InChI is InChI=1S/C4H11NOS/c1-4(2)5-7(3)6/h4-5H,1-3H3/t7-/m0/s1.
What are the key properties of (S)-N-propan-2-ylmethanesulfinamide?
(S)-N-propan-2-ylmethanesulfinamide has a molecular weight of 121.20 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-propan-2-ylmethanesulfinamide is sourced from PubChem (CID 166081193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).