N-[(4-methylsulfanylphenyl)methyl]cycloheptanamine

C15H23NS — CID 4722425

IUPACN-[(4-methylsulfanylphenyl)methyl]cycloheptanamine
SMILESCSc1ccc(CNC2CCCCCC2)cc1
InChIInChI=1S/C15H23NS/c1-17-15-10-8-13(9-11-15)12-16-14-6-4-2-3-5-7-14/h8-11,14,16H,2-7,12H2,1H3
InChIKeyFNLZOTQYSLUEBR-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.22
Rot. Bonds4

About N-[(4-methylsulfanylphenyl)methyl]cycloheptanamine

N-[(4-methylsulfanylphenyl)methyl]cycloheptanamine (PubChem CID 4722425) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-[(4-methylsulfanylphenyl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(4-methylsulfanylphenyl)methyl]cycloheptanamine
PubChem CID4722425
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-[(4-methylsulfanylphenyl)methyl]cycloheptanamine
SMILESCSc1ccc(CNC2CCCCCC2)cc1
InChIInChI=1S/C15H23NS/c1-17-15-10-8-13(9-11-15)12-16-14-6-4-2-3-5-7-14/h8-11,14,16H,2-7,12H2,1H3
InChIKeyFNLZOTQYSLUEBR-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine
CID 96661182
N-[(4-methylsulfanylphenyl)methyl]thian-3-amine
CID 115676008
N-[(4-propylphenyl)methyl]cyclohexanamine
CID 94685509
N-[(4-tert-butylphenyl)methyl]cycloheptanamine
CID 28509997
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
benzene;N-benzylcyclohexanamine
CID 142622843
N-[(4-methylsulfanylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 119107084
N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride
CID 17294485
N-[(4-butylphenyl)methyl]cyclohexanamine
CID 70837938
N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride
CID 17331879
N-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride
CID 17332385
2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine
CID 113243458

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanylphenyl)methyl]cycloheptanamine?
The IUPAC name of N-[(4-methylsulfanylphenyl)methyl]cycloheptanamine (CID 4722425) is N-[(4-methylsulfanylphenyl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(4-methylsulfanylphenyl)methyl]cycloheptanamine?
The canonical SMILES for N-[(4-methylsulfanylphenyl)methyl]cycloheptanamine is CSc1ccc(CNC2CCCCCC2)cc1.
What is the InChIKey of N-[(4-methylsulfanylphenyl)methyl]cycloheptanamine?
The InChIKey is FNLZOTQYSLUEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-17-15-10-8-13(9-11-15)12-16-14-6-4-2-3-5-7-14/h8-11,14,16H,2-7,12H2,1H3.
What are the key properties of N-[(4-methylsulfanylphenyl)methyl]cycloheptanamine?
N-[(4-methylsulfanylphenyl)methyl]cycloheptanamine has a molecular weight of 249.42 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanylphenyl)methyl]cycloheptanamine is sourced from PubChem (CID 4722425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).