3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine

C15H23NO2S2 — CID 103786848

IUPAC3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine
SMILESCSC1CCC(NC(C)c2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C15H23NO2S2/c1-11(16-13-6-7-14(10-13)19-2)12-4-8-15(9-5-12)20(3,17)18/h4-5,8-9,11,13-14,16H,6-7,10H2,1-3H3
InChIKeyGYTUPVIPPGWJQA-UHFFFAOYSA-N
MW313.49 g/mol
LogP3.02
Rot. Bonds5

About 3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine

3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine (PubChem CID 103786848) has the molecular formula C15H23NO2S2 and a molecular weight of 313.49 g/mol. Its IUPAC name is 3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine
PubChem CID103786848
Molecular FormulaC15H23NO2S2
Molecular Weight313.49 g/mol
Exact Mass313.12
IUPAC Name3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine
SMILESCSC1CCC(NC(C)c2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C15H23NO2S2/c1-11(16-13-6-7-14(10-13)19-2)12-4-8-15(9-5-12)20(3,17)18/h4-5,8-9,11,13-14,16H,6-7,10H2,1-3H3
InChIKeyGYTUPVIPPGWJQA-UHFFFAOYSA-N
XLogP3.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 113245740
N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine
CID 43177189
3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexan-1-amine
CID 43216334
3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 103911013
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 103711220
N-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine
CID 43609832
4-[(1S)-1-[[(1S,3R)-3-ethylsulfanylcyclopentyl]amino]ethyl]benzenesulfonamide
CID 97113685
N-[3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenyl]acetamide
CID 103786748
(1S)-N-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]-3-(4-methylsulfonylphenyl)cyclopentan-1-amine
CID 91241022
4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64502296
3-methylsulfanyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
CID 103786809
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-methylsulfonylphenyl)cyclopentan-1-amine
CID 77407497

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine?
The IUPAC name of 3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine (CID 103786848) is 3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine is CSC1CCC(NC(C)c2ccc(S(C)(=O)=O)cc2)C1.
What is the InChIKey of 3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine?
The InChIKey is GYTUPVIPPGWJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S2/c1-11(16-13-6-7-14(10-13)19-2)12-4-8-15(9-5-12)20(3,17)18/h4-5,8-9,11,13-14,16H,6-7,10H2,1-3H3.
What are the key properties of 3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine?
3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine has a molecular weight of 313.49 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 103786848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).