(1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopentylethanamine

C15H22ClNO2S — CID 83170840

IUPAC(1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopentylethanamine
SMILESC[C@H](NCc1c(Cl)cccc1S(C)(=O)=O)C1CCCC1
InChIInChI=1S/C15H22ClNO2S/c1-11(12-6-3-4-7-12)17-10-13-14(16)8-5-9-15(13)20(2,18)19/h5,8-9,11-12,17H,3-4,6-7,10H2,1-2H3/t11-/m0/s1
InChIKeyDHMYNJUDDTYTSA-NSHDSACASA-N
MW315.87 g/mol
LogP3.41
Rot. Bonds5

About (1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopentylethanamine

(1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopentylethanamine (PubChem CID 83170840) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is (1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopentylethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopentylethanamine
PubChem CID83170840
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC Name(1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopentylethanamine
SMILESC[C@H](NCc1c(Cl)cccc1S(C)(=O)=O)C1CCCC1
InChIInChI=1S/C15H22ClNO2S/c1-11(12-6-3-4-7-12)17-10-13-14(16)8-5-9-15(13)20(2,18)19/h5,8-9,11-12,17H,3-4,6-7,10H2,1-2H3/t11-/m0/s1
InChIKeyDHMYNJUDDTYTSA-NSHDSACASA-N
XLogP3.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopropylethanamine
CID 83169876
(2R)-2-[(2-chloro-6-methylsulfonylphenyl)methylamino]propan-1-ol
CID 114983164
3-chloro-2-[(1-cyclohexylethylamino)methyl]phenol
CID 79032182
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-dicyclopropylethanamine
CID 83169561
(1S)-N-[(2-chloro-6-nitrophenyl)methyl]-1-cyclopentylethanamine
CID 81394826
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-methylpentan-3-amine
CID 83169880
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-3-methylpentan-2-amine
CID 83170991
(1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-phenylethanamine
CID 83168346
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-6-methylheptan-2-amine
CID 83169673
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-4-methylpentan-1-ol
CID 83170203
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N,N-dimethylpropanamide
CID 83170987
3-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclohexan-1-ol
CID 83170359

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopentylethanamine?
The IUPAC name of (1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopentylethanamine (CID 83170840) is (1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopentylethanamine.
What is the SMILES notation for (1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopentylethanamine?
The canonical SMILES for (1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopentylethanamine is C[C@H](NCc1c(Cl)cccc1S(C)(=O)=O)C1CCCC1.
What is the InChIKey of (1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopentylethanamine?
The InChIKey is DHMYNJUDDTYTSA-NSHDSACASA-N. The full InChI is InChI=1S/C15H22ClNO2S/c1-11(12-6-3-4-7-12)17-10-13-14(16)8-5-9-15(13)20(2,18)19/h5,8-9,11-12,17H,3-4,6-7,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopentylethanamine?
(1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopentylethanamine has a molecular weight of 315.87 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopentylethanamine is sourced from PubChem (CID 83170840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).