(2R)-1-(benzenesulfonyl)butan-2-amine

C10H15NO2S — CID 15448936

IUPAC(2R)-1-(benzenesulfonyl)butan-2-amine
SMILESCC[C@@H](N)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H15NO2S/c1-2-9(11)8-14(12,13)10-6-4-3-5-7-10/h3-7,9H,2,8,11H2,1H3/t9-/m1/s1
InChIKeyCZSHVGQOIADRBR-SECBINFHSA-N
MW213.30 g/mol
LogP1.20
Rot. Bonds4

About (2R)-1-(benzenesulfonyl)butan-2-amine

(2R)-1-(benzenesulfonyl)butan-2-amine (PubChem CID 15448936) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is (2R)-1-(benzenesulfonyl)butan-2-amine.

Molecular Properties

Compound Name(2R)-1-(benzenesulfonyl)butan-2-amine
PubChem CID15448936
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name(2R)-1-(benzenesulfonyl)butan-2-amine
SMILESCC[C@@H](N)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H15NO2S/c1-2-9(11)8-14(12,13)10-6-4-3-5-7-10/h3-7,9H,2,8,11H2,1H3/t9-/m1/s1
InChIKeyCZSHVGQOIADRBR-SECBINFHSA-N
XLogP1.20
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Butylbenzenesulfonamide
CID 19241
Phenyl-2-aminoethyl sulfide
CID 37013
(Ethylsulphonyl)benzene
CID 69032
N-Ethylbenzenesulfonamide
CID 79279
Butyl phenyl sulfone
CID 238507
((1-Methylethyl)sulfonyl)benzene
CID 199476
2-(Benzenesulfonyl)ethan-1-amine
CID 3545497
3-(Benzenesulfonyl)propan-1-amine
CID 5007910
3-(Phenylsulphonyl)propiononitrile
CID 82413
N-pentan-2-ylbenzenesulfonamide
CID 653062
Phenylthiopropylamine
CID 150958
N-cyclopropyl-4-methylsulfanylbenzenesulfonamide
CID 2222291

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzenesulfonyl)butan-2-amine?
The IUPAC name of (2R)-1-(benzenesulfonyl)butan-2-amine (CID 15448936) is (2R)-1-(benzenesulfonyl)butan-2-amine.
What is the SMILES notation for (2R)-1-(benzenesulfonyl)butan-2-amine?
The canonical SMILES for (2R)-1-(benzenesulfonyl)butan-2-amine is CC[C@@H](N)CS(=O)(=O)c1ccccc1.
What is the InChIKey of (2R)-1-(benzenesulfonyl)butan-2-amine?
The InChIKey is CZSHVGQOIADRBR-SECBINFHSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-2-9(11)8-14(12,13)10-6-4-3-5-7-10/h3-7,9H,2,8,11H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-(benzenesulfonyl)butan-2-amine?
(2R)-1-(benzenesulfonyl)butan-2-amine has a molecular weight of 213.30 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzenesulfonyl)butan-2-amine is sourced from PubChem (CID 15448936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).