3-(benzenesulfonyl)-2-methylpropan-1-amine

C10H15NO2S — CID 64698178

IUPAC3-(benzenesulfonyl)-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H15NO2S/c1-9(7-11)8-14(12,13)10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
InChIKeyMZEYGIHEUZTZFK-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.06
Rot. Bonds4

About 3-(benzenesulfonyl)-2-methylpropan-1-amine

3-(benzenesulfonyl)-2-methylpropan-1-amine (PubChem CID 64698178) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2-methylpropan-1-amine
PubChem CID64698178
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name3-(benzenesulfonyl)-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H15NO2S/c1-9(7-11)8-14(12,13)10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
InChIKeyMZEYGIHEUZTZFK-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonyl)-3-methylbutan-1-amine
CID 115036309
3-(benzenesulfonyl)-2-methylpropan-1-ol
CID 13480680
1-(benzenesulfonyl)propan-2-amine
CID 62917209
4-(benzenesulfonyl)-3-methylbutan-1-ol
CID 13358237
3-(3,4-dimethylphenyl)sulfonyl-2-methylpropan-1-amine
CID 64697371
(2S)-1-(benzenesulfonyl)propan-2-ol
CID 11127286
[[(2S,4R)-5-(benzenesulfonyl)-2,4-dimethylpentoxy]-diphenylmethyl]benzene
CID 175678427
[(2R)-2-propan-2-ylpentyl]sulfonylbenzene
CID 139881589
ethane;2-methylpropylbenzene;2-methylpropylsulfonylbenzene
CID 160599750
1-(benzenesulfonyl)-3-methoxypropan-2-amine
CID 107508474
2-methyl-3-(2-phenoxyethylsulfonyl)propan-1-amine
CID 81202614
2-amino-1-(benzenesulfonyl)ethanol
CID 117037374

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(benzenesulfonyl)-2-methylpropan-1-amine (CID 64698178) is 3-(benzenesulfonyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(benzenesulfonyl)-2-methylpropan-1-amine is CC(CN)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-2-methylpropan-1-amine?
The InChIKey is MZEYGIHEUZTZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-9(7-11)8-14(12,13)10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-2-methylpropan-1-amine?
3-(benzenesulfonyl)-2-methylpropan-1-amine has a molecular weight of 213.30 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2-methylpropan-1-amine is sourced from PubChem (CID 64698178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).