1-(benzenesulfonyl)propan-2-amine

C9H13NO2S — CID 62917209

IUPAC1-(benzenesulfonyl)propan-2-amine
SMILESCC(N)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H13NO2S/c1-8(10)7-13(11,12)9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
InChIKeyZJWKFMCVYVZEFB-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.81
Rot. Bonds3

About 1-(benzenesulfonyl)propan-2-amine

1-(benzenesulfonyl)propan-2-amine (PubChem CID 62917209) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-(benzenesulfonyl)propan-2-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)propan-2-amine
PubChem CID62917209
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name1-(benzenesulfonyl)propan-2-amine
SMILESCC(N)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H13NO2S/c1-8(10)7-13(11,12)9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
InChIKeyZJWKFMCVYVZEFB-UHFFFAOYSA-N
XLogP0.81
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonyl)-2-methylpropan-1-amine
CID 64698178
(2S)-1-(benzenesulfonyl)propan-2-ol
CID 11127286
4-(benzenesulfonyl)-3-methylbutan-1-ol
CID 13358237
4-(benzenesulfonyl)-3-methylbutan-1-amine
CID 115036309
3-(benzenesulfonyl)-2-methylpropan-1-ol
CID 13480680
1-(benzenesulfonyl)-3-methoxypropan-2-amine
CID 107508474
[(2R)-2-propan-2-ylpentyl]sulfonylbenzene
CID 139881589
ethane;2-methylpropylbenzene;2-methylpropylsulfonylbenzene
CID 160599750
2,2-diethoxyethylsulfonylbenzene
CID 11436831
N-(4-aminopentyl)benzenesulfonamide
CID 106125730
1-(benzenesulfonyl)-3-(propan-2-ylamino)propan-2-ol
CID 113317915
N-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine
CID 115903384

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)propan-2-amine?
The IUPAC name of 1-(benzenesulfonyl)propan-2-amine (CID 62917209) is 1-(benzenesulfonyl)propan-2-amine.
What is the SMILES notation for 1-(benzenesulfonyl)propan-2-amine?
The canonical SMILES for 1-(benzenesulfonyl)propan-2-amine is CC(N)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)propan-2-amine?
The InChIKey is ZJWKFMCVYVZEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-8(10)7-13(11,12)9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3.
What are the key properties of 1-(benzenesulfonyl)propan-2-amine?
1-(benzenesulfonyl)propan-2-amine has a molecular weight of 199.28 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)propan-2-amine is sourced from PubChem (CID 62917209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).