(S)-propane-2-sulfinamide

C3H9NOS — CID 88710185

IUPAC(S)-propane-2-sulfinamide
SMILESCC(C)[S@@](N)=O
InChIInChI=1S/C3H9NOS/c1-3(2)6(4)5/h3H,4H2,1-2H3/t6-/m0/s1
InChIKeyLFILDSDQMSCNBV-LURJTMIESA-N
MW107.18 g/mol
LogP0.02
Rot. Bonds1

About (S)-propane-2-sulfinamide

(S)-propane-2-sulfinamide (PubChem CID 88710185) has the molecular formula C3H9NOS and a molecular weight of 107.18 g/mol. Its IUPAC name is (S)-propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-propane-2-sulfinamide
PubChem CID88710185
Molecular FormulaC3H9NOS
Molecular Weight107.18 g/mol
Exact Mass107.04
IUPAC Name(S)-propane-2-sulfinamide
SMILESCC(C)[S@@](N)=O
InChIInChI=1S/C3H9NOS/c1-3(2)6(4)5/h3H,4H2,1-2H3/t6-/m0/s1
InChIKeyLFILDSDQMSCNBV-LURJTMIESA-N
XLogP0.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.18
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloroethanesulfinamide
CID 154126260
2-propan-2-ylsulfinylpropane
CID 158857141
propan-2-ol;sulfur trioxide
CID 174853571
2-methylbutane-1-sulfinamide
CID 139559461
N,N-dimethylpropane-2-sulfinamide
CID 118967540
1-phenylpropane-2-sulfinamide
CID 172767842
(4S)-6,6,6-trifluoro-4-methylhexane-2-sulfinamide
CID 155622219
2-tert-butylsulfonyl-2-methylpropane;2-methyl-2-propan-2-ylsulfinylpropane
CID 162046049
propan-2-ylsulfinylmethanethiol
CID 146656946
ethane;2-ethylsulfinylpropane
CID 90763779
2-methylpropane;tungsten
CID 144526928
3-propan-2-ylsulfinylbutan-2-one
CID 64638745

Frequently Asked Questions

What is the IUPAC name of (S)-propane-2-sulfinamide?
The IUPAC name of (S)-propane-2-sulfinamide (CID 88710185) is (S)-propane-2-sulfinamide.
What is the SMILES notation for (S)-propane-2-sulfinamide?
The canonical SMILES for (S)-propane-2-sulfinamide is CC(C)[S@@](N)=O.
What is the InChIKey of (S)-propane-2-sulfinamide?
The InChIKey is LFILDSDQMSCNBV-LURJTMIESA-N. The full InChI is InChI=1S/C3H9NOS/c1-3(2)6(4)5/h3H,4H2,1-2H3/t6-/m0/s1.
What are the key properties of (S)-propane-2-sulfinamide?
(S)-propane-2-sulfinamide has a molecular weight of 107.18 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-propane-2-sulfinamide is sourced from PubChem (CID 88710185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).