(S)-cyclopentyl-(4-methylsulfanylphenyl)methanamine

C13H19NS — CID 96672435

IUPAC(S)-cyclopentyl-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc([C@@H](N)C2CCCC2)cc1
InChIInChI=1S/C13H19NS/c1-15-12-8-6-11(7-9-12)13(14)10-4-2-3-5-10/h6-10,13H,2-5,14H2,1H3/t13-/m0/s1
InChIKeyQABANZSKUNZHIF-ZDUSSCGKSA-N
MW221.37 g/mol
LogP3.60
Rot. Bonds3

About (S)-cyclopentyl-(4-methylsulfanylphenyl)methanamine

(S)-cyclopentyl-(4-methylsulfanylphenyl)methanamine (PubChem CID 96672435) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is (S)-cyclopentyl-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(S)-cyclopentyl-(4-methylsulfanylphenyl)methanamine
PubChem CID96672435
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name(S)-cyclopentyl-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc([C@@H](N)C2CCCC2)cc1
InChIInChI=1S/C13H19NS/c1-15-12-8-6-11(7-9-12)13(14)10-4-2-3-5-10/h6-10,13H,2-5,14H2,1H3/t13-/m0/s1
InChIKeyQABANZSKUNZHIF-ZDUSSCGKSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-cyclooctylmethanamine
CID 65018889
(R)-cyclohexyl-(4-iodophenyl)methanamine
CID 171202889
(4-chlorophenyl)-cyclohexylmethanamine
CID 12559039
cyclohexyl(phenyl)methanamine
CID 11064121
cyclopentyl-(4-phenylphenyl)methanamine
CID 43098534
1-cyclohexyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethanamine
CID 43783226
4-[(S)-amino(cyclobutyl)methyl]phenol
CID 130741168
4-[(R)-amino(cyclobutyl)methyl]phenol
CID 130780811
N-[cycloheptyl-(4-methylsulfanylphenyl)methyl]ethanamine
CID 105027812
N-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine
CID 43189980
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylsulfanylphenyl)methanamine
CID 105012149
(4-methylsulfanylphenyl)-(oxan-3-yl)methanol
CID 107136272

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopentyl-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of (S)-cyclopentyl-(4-methylsulfanylphenyl)methanamine (CID 96672435) is (S)-cyclopentyl-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for (S)-cyclopentyl-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for (S)-cyclopentyl-(4-methylsulfanylphenyl)methanamine is CSc1ccc([C@@H](N)C2CCCC2)cc1.
What is the InChIKey of (S)-cyclopentyl-(4-methylsulfanylphenyl)methanamine?
The InChIKey is QABANZSKUNZHIF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19NS/c1-15-12-8-6-11(7-9-12)13(14)10-4-2-3-5-10/h6-10,13H,2-5,14H2,1H3/t13-/m0/s1.
What are the key properties of (S)-cyclopentyl-(4-methylsulfanylphenyl)methanamine?
(S)-cyclopentyl-(4-methylsulfanylphenyl)methanamine has a molecular weight of 221.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopentyl-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 96672435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).