4-(benzenesulfonyl)-3-methylbutan-1-amine

C11H17NO2S — CID 115036309

IUPAC4-(benzenesulfonyl)-3-methylbutan-1-amine
SMILESCC(CCN)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H17NO2S/c1-10(7-8-12)9-15(13,14)11-5-3-2-4-6-11/h2-6,10H,7-9,12H2,1H3
InChIKeyJYQJUBPJSDHFJA-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.45
Rot. Bonds5

About 4-(benzenesulfonyl)-3-methylbutan-1-amine

4-(benzenesulfonyl)-3-methylbutan-1-amine (PubChem CID 115036309) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-3-methylbutan-1-amine
PubChem CID115036309
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name4-(benzenesulfonyl)-3-methylbutan-1-amine
SMILESCC(CCN)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H17NO2S/c1-10(7-8-12)9-15(13,14)11-5-3-2-4-6-11/h2-6,10H,7-9,12H2,1H3
InChIKeyJYQJUBPJSDHFJA-UHFFFAOYSA-N
XLogP1.45
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonyl)-2-methylpropan-1-amine
CID 64698178
4-(benzenesulfonyl)-3-methylbutan-1-ol
CID 13358237
3-(benzenesulfonyl)-2-methylpropan-1-ol
CID 13480680
1-(benzenesulfonyl)propan-2-amine
CID 62917209
N-(4-amino-2-methylbutyl)benzenesulfonamide
CID 66091403
(2S)-1-(benzenesulfonyl)propan-2-ol
CID 11127286
[(2R)-2-propan-2-ylpentyl]sulfonylbenzene
CID 139881589
N-(4-aminobutan-2-yl)-N-methylbenzenesulfonamide
CID 63225180
[(4R)-5-(benzenesulfonyl)-4-methylpentoxy]-tert-butyl-diphenylsilane
CID 25117682
[[(2S,4R)-5-(benzenesulfonyl)-2,4-dimethylpentoxy]-diphenylmethyl]benzene
CID 175678427
[(4S)-4-methyloctadecyl]sulfonylbenzene
CID 10645166
ethane;2-methylpropylbenzene;2-methylpropylsulfonylbenzene
CID 160599750

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-3-methylbutan-1-amine?
The IUPAC name of 4-(benzenesulfonyl)-3-methylbutan-1-amine (CID 115036309) is 4-(benzenesulfonyl)-3-methylbutan-1-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-3-methylbutan-1-amine?
The canonical SMILES for 4-(benzenesulfonyl)-3-methylbutan-1-amine is CC(CCN)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-3-methylbutan-1-amine?
The InChIKey is JYQJUBPJSDHFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-10(7-8-12)9-15(13,14)11-5-3-2-4-6-11/h2-6,10H,7-9,12H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-3-methylbutan-1-amine?
4-(benzenesulfonyl)-3-methylbutan-1-amine has a molecular weight of 227.33 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-3-methylbutan-1-amine is sourced from PubChem (CID 115036309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).