1-[(2-chlorophenyl)methylsulfonyl]-N-ethyl-3-methylpentan-2-amine

C15H24ClNO2S — CID 103290221

IUPAC1-[(2-chlorophenyl)methylsulfonyl]-N-ethyl-3-methylpentan-2-amine
SMILESCCNC(CS(=O)(=O)Cc1ccccc1Cl)C(C)CC
InChIInChI=1S/C15H24ClNO2S/c1-4-12(3)15(17-5-2)11-20(18,19)10-13-8-6-7-9-14(13)16/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyKESIKGXGQLZXTO-UHFFFAOYSA-N
MW317.88 g/mol
LogP3.28
Rot. Bonds8

About 1-[(2-chlorophenyl)methylsulfonyl]-N-ethyl-3-methylpentan-2-amine

1-[(2-chlorophenyl)methylsulfonyl]-N-ethyl-3-methylpentan-2-amine (PubChem CID 103290221) has the molecular formula C15H24ClNO2S and a molecular weight of 317.88 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methylsulfonyl]-N-ethyl-3-methylpentan-2-amine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methylsulfonyl]-N-ethyl-3-methylpentan-2-amine
PubChem CID103290221
Molecular FormulaC15H24ClNO2S
Molecular Weight317.88 g/mol
Exact Mass317.12
IUPAC Name1-[(2-chlorophenyl)methylsulfonyl]-N-ethyl-3-methylpentan-2-amine
SMILESCCNC(CS(=O)(=O)Cc1ccccc1Cl)C(C)CC
InChIInChI=1S/C15H24ClNO2S/c1-4-12(3)15(17-5-2)11-20(18,19)10-13-8-6-7-9-14(13)16/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyKESIKGXGQLZXTO-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.88
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopropylethyl]propan-1-amine
CID 103290116
1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine
CID 63526507
1-(2-chlorophenyl)-N-pentan-2-ylmethanesulfonamide
CID 17257591
2-[(2-chlorophenyl)methylsulfanyl]-N-ethylpentan-3-amine
CID 103291071
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide
CID 17257571
2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide
CID 103288038
1-[(4-chlorophenyl)methylsulfonyl]-N-ethyl-3-methylbutan-2-amine
CID 114792033
(2S)-1-(2-chlorophenoxy)-3-[(2-chlorophenyl)methylsulfonyl]propan-2-ol
CID 40562244
1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide
CID 111977012
1-chloro-2-(2-chloroethylsulfonylmethyl)benzene
CID 103288106
N-ethyl-3,3-dimethyl-1-[(2-methylphenyl)methylsulfonyl]butan-2-amine
CID 64676244

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-N-ethyl-3-methylpentan-2-amine?
The IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-N-ethyl-3-methylpentan-2-amine (CID 103290221) is 1-[(2-chlorophenyl)methylsulfonyl]-N-ethyl-3-methylpentan-2-amine.
What is the SMILES notation for 1-[(2-chlorophenyl)methylsulfonyl]-N-ethyl-3-methylpentan-2-amine?
The canonical SMILES for 1-[(2-chlorophenyl)methylsulfonyl]-N-ethyl-3-methylpentan-2-amine is CCNC(CS(=O)(=O)Cc1ccccc1Cl)C(C)CC.
What is the InChIKey of 1-[(2-chlorophenyl)methylsulfonyl]-N-ethyl-3-methylpentan-2-amine?
The InChIKey is KESIKGXGQLZXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2S/c1-4-12(3)15(17-5-2)11-20(18,19)10-13-8-6-7-9-14(13)16/h6-9,12,15,17H,4-5,10-11H2,1-3H3.
What are the key properties of 1-[(2-chlorophenyl)methylsulfonyl]-N-ethyl-3-methylpentan-2-amine?
1-[(2-chlorophenyl)methylsulfonyl]-N-ethyl-3-methylpentan-2-amine has a molecular weight of 317.88 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methylsulfonyl]-N-ethyl-3-methylpentan-2-amine is sourced from PubChem (CID 103290221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).