[1-(2-cyclopropylsulfanylphenyl)cyclohexyl]methanamine

C16H23NS — CID 117408838

IUPAC[1-(2-cyclopropylsulfanylphenyl)cyclohexyl]methanamine
SMILESNCC1(c2ccccc2SC2CC2)CCCCC1
InChIInChI=1S/C16H23NS/c17-12-16(10-4-1-5-11-16)14-6-2-3-7-15(14)18-13-8-9-13/h2-3,6-7,13H,1,4-5,8-12,17H2
InChIKeyXZDUOZCOONBQBX-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.10
Rot. Bonds4

About [1-(2-cyclopropylsulfanylphenyl)cyclohexyl]methanamine

[1-(2-cyclopropylsulfanylphenyl)cyclohexyl]methanamine (PubChem CID 117408838) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is [1-(2-cyclopropylsulfanylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-cyclopropylsulfanylphenyl)cyclohexyl]methanamine
PubChem CID117408838
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name[1-(2-cyclopropylsulfanylphenyl)cyclohexyl]methanamine
SMILESNCC1(c2ccccc2SC2CC2)CCCCC1
InChIInChI=1S/C16H23NS/c17-12-16(10-4-1-5-11-16)14-6-2-3-7-15(14)18-13-8-9-13/h2-3,6-7,13H,1,4-5,8-12,17H2
InChIKeyXZDUOZCOONBQBX-UHFFFAOYSA-N
XLogP4.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-cyclopropylsulfanylphenyl)cyclopropyl]acetic acid
CID 117374314
[1-(2-bromophenyl)cycloheptyl]methanamine
CID 62829513
[1-(2-cyclohexylphenyl)cyclobutyl]methanamine
CID 117360932
[1-(2-iodophenyl)cyclopentyl]methanamine
CID 70594144
[1-(2-fluorophenyl)cyclopentyl]methanamine;hydrochloride
CID 74890008
2-[2-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol
CID 117113373
[1-methyl-4-(2-methylsulfanylphenyl)piperidin-4-yl]methanamine
CID 82026904
[1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine
CID 117347808
[1-(3-chloro-4-cyclopropylsulfanylphenyl)cyclopropyl]methanamine
CID 117388041
2-[2-[1-(aminomethyl)cyclopentyl]phenyl]propan-2-ol
CID 117113245
[1-(2-piperidin-1-ylphenyl)cyclobutyl]methanamine
CID 117363360
[1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine
CID 117461246

Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclopropylsulfanylphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(2-cyclopropylsulfanylphenyl)cyclohexyl]methanamine (CID 117408838) is [1-(2-cyclopropylsulfanylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2-cyclopropylsulfanylphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2-cyclopropylsulfanylphenyl)cyclohexyl]methanamine is NCC1(c2ccccc2SC2CC2)CCCCC1.
What is the InChIKey of [1-(2-cyclopropylsulfanylphenyl)cyclohexyl]methanamine?
The InChIKey is XZDUOZCOONBQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c17-12-16(10-4-1-5-11-16)14-6-2-3-7-15(14)18-13-8-9-13/h2-3,6-7,13H,1,4-5,8-12,17H2.
What are the key properties of [1-(2-cyclopropylsulfanylphenyl)cyclohexyl]methanamine?
[1-(2-cyclopropylsulfanylphenyl)cyclohexyl]methanamine has a molecular weight of 261.43 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclopropylsulfanylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117408838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).