2-(2-chlorophenyl)-4-methylsulfonylbutan-2-amine

C11H16ClNO2S — CID 62621254

IUPAC2-(2-chlorophenyl)-4-methylsulfonylbutan-2-amine
SMILESCC(N)(CCS(C)(=O)=O)c1ccccc1Cl
InChIInChI=1S/C11H16ClNO2S/c1-11(13,7-8-16(2,14)15)9-5-3-4-6-10(9)12/h3-6H,7-8,13H2,1-2H3
InChIKeyJLPUDXDUYQSXTC-UHFFFAOYSA-N
MW261.77 g/mol
LogP1.95
Rot. Bonds4

About 2-(2-chlorophenyl)-4-methylsulfonylbutan-2-amine

2-(2-chlorophenyl)-4-methylsulfonylbutan-2-amine (PubChem CID 62621254) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-methylsulfonylbutan-2-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-methylsulfonylbutan-2-amine
PubChem CID62621254
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name2-(2-chlorophenyl)-4-methylsulfonylbutan-2-amine
SMILESCC(N)(CCS(C)(=O)=O)c1ccccc1Cl
InChIInChI=1S/C11H16ClNO2S/c1-11(13,7-8-16(2,14)15)9-5-3-4-6-10(9)12/h3-6H,7-8,13H2,1-2H3
InChIKeyJLPUDXDUYQSXTC-UHFFFAOYSA-N
XLogP1.95
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-5-phenylpentan-2-amine
CID 62621449
2-amino-2-(2-chlorophenyl)propan-1-ol
CID 54776181
2-(2-chlorophenyl)-4-phenoxybutan-2-amine
CID 55096015
2-(2-chlorophenyl)-1-(4-chlorophenyl)propan-2-amine
CID 60797835
1-[4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)butan-2-yl]-2-chlorobenzene
CID 106734877
2-(4-chlorophenyl)-5-methylsulfonylpentan-2-amine
CID 63192294
6-(2-chlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
CID 106714731
2-(2-tert-butylsulfonylethyl)-2-(2-chlorophenyl)propane-1,3-diol
CID 106734814
2-(2-fluorophenyl)-4-methylsulfonylbutan-2-ol
CID 65145426
2-(2-chlorophenyl)-2-methylpropane-1-sulfonic acid
CID 115046430
3-(2-chlorophenyl)pentan-3-amine
CID 61029804
4-(2-chlorophenyl)sulfonyl-2-methylbutan-2-ol
CID 139004687

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-methylsulfonylbutan-2-amine?
The IUPAC name of 2-(2-chlorophenyl)-4-methylsulfonylbutan-2-amine (CID 62621254) is 2-(2-chlorophenyl)-4-methylsulfonylbutan-2-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-methylsulfonylbutan-2-amine?
The canonical SMILES for 2-(2-chlorophenyl)-4-methylsulfonylbutan-2-amine is CC(N)(CCS(C)(=O)=O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-4-methylsulfonylbutan-2-amine?
The InChIKey is JLPUDXDUYQSXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-11(13,7-8-16(2,14)15)9-5-3-4-6-10(9)12/h3-6H,7-8,13H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-4-methylsulfonylbutan-2-amine?
2-(2-chlorophenyl)-4-methylsulfonylbutan-2-amine has a molecular weight of 261.77 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-methylsulfonylbutan-2-amine is sourced from PubChem (CID 62621254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).