1-(2-chlorophenyl)-4-ethylsulfonylbutan-2-amine

C12H18ClNO2S — CID 65017932

IUPAC1-(2-chlorophenyl)-4-ethylsulfonylbutan-2-amine
SMILESCCS(=O)(=O)CCC(N)Cc1ccccc1Cl
InChIInChI=1S/C12H18ClNO2S/c1-2-17(15,16)8-7-11(14)9-10-5-3-4-6-12(10)13/h3-6,11H,2,7-9,14H2,1H3
InChIKeyOPKIOPGVIREANA-UHFFFAOYSA-N
MW275.80 g/mol
LogP2.03
Rot. Bonds6

About 1-(2-chlorophenyl)-4-ethylsulfonylbutan-2-amine

1-(2-chlorophenyl)-4-ethylsulfonylbutan-2-amine (PubChem CID 65017932) has the molecular formula C12H18ClNO2S and a molecular weight of 275.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-ethylsulfonylbutan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-ethylsulfonylbutan-2-amine
PubChem CID65017932
Molecular FormulaC12H18ClNO2S
Molecular Weight275.80 g/mol
Exact Mass275.07
IUPAC Name1-(2-chlorophenyl)-4-ethylsulfonylbutan-2-amine
SMILESCCS(=O)(=O)CCC(N)Cc1ccccc1Cl
InChIInChI=1S/C12H18ClNO2S/c1-2-17(15,16)8-7-11(14)9-10-5-3-4-6-12(10)13/h3-6,11H,2,7-9,14H2,1H3
InChIKeyOPKIOPGVIREANA-UHFFFAOYSA-N
XLogP2.03
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.80
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylsulfonyl-1-(2-methylphenyl)butan-2-amine
CID 65017432
(2S)-1-(2-chlorophenyl)pentan-2-amine
CID 104932386
4-ethylsulfonyl-1-(2-methoxyphenyl)butan-2-amine
CID 65017667
1-(3-chloro-2-fluorophenyl)-5-ethylsulfonylpentan-2-amine
CID 82805447
(2R)-2-amino-3-(2-chlorophenyl)propane-1-sulfonic acid
CID 58661581
1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine
CID 62367436
1-(2,3-dichlorophenyl)pentan-2-amine
CID 84752925
1-(3-chloro-2-fluorophenyl)-5-methylsulfonylpentan-2-amine
CID 82806041
1-(2-chlorophenyl)-4-methylsulfonylbutan-2-ol
CID 62606385
1-(2-chlorophenyl)-4-(2-nitrophenyl)butan-2-amine
CID 65017978
methyl 3-amino-4-(2-chlorophenyl)butanoate
CID 168922747
3-(2-chlorophenyl)-1,1-dimethoxypropan-2-amine
CID 79492735

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-ethylsulfonylbutan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-4-ethylsulfonylbutan-2-amine (CID 65017932) is 1-(2-chlorophenyl)-4-ethylsulfonylbutan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-ethylsulfonylbutan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-4-ethylsulfonylbutan-2-amine is CCS(=O)(=O)CCC(N)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-4-ethylsulfonylbutan-2-amine?
The InChIKey is OPKIOPGVIREANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2S/c1-2-17(15,16)8-7-11(14)9-10-5-3-4-6-12(10)13/h3-6,11H,2,7-9,14H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-4-ethylsulfonylbutan-2-amine?
1-(2-chlorophenyl)-4-ethylsulfonylbutan-2-amine has a molecular weight of 275.80 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-ethylsulfonylbutan-2-amine is sourced from PubChem (CID 65017932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).