N-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptan-2-amine

C14H25NS — CID 115886375

IUPACN-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptan-2-amine
SMILESCSC1CCCC(NC2CC3CCC2C3)C1
InChIInChI=1S/C14H25NS/c1-16-13-4-2-3-12(9-13)15-14-8-10-5-6-11(14)7-10/h10-15H,2-9H2,1H3
InChIKeyQHZOSKWCTMCQOQ-UHFFFAOYSA-N
MW239.43 g/mol
LogP3.44
Rot. Bonds3

About N-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptan-2-amine

N-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 115886375) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is N-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID115886375
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC NameN-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptan-2-amine
SMILESCSC1CCCC(NC2CC3CCC2C3)C1
InChIInChI=1S/C14H25NS/c1-16-13-4-2-3-12(9-13)15-14-8-10-5-6-11(14)7-10/h10-15H,2-9H2,1H3
InChIKeyQHZOSKWCTMCQOQ-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine
CID 115689388
N-(2-ethylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine
CID 115721250
N-(3-methylcyclobutyl)bicyclo[2.2.1]heptan-2-amine
CID 115892511
(3S)-N-(2-bicyclo[2.2.1]heptanyl)oxan-3-amine
CID 130778573
1-N-(2-bicyclo[2.2.1]heptanyl)-3-N,3-N-dimethylcyclopentane-1,3-diamine
CID 115897267
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpiperidin-4-amine
CID 98119463
N-(3-methoxycyclobutyl)-3-methylsulfanylcyclohexan-1-amine
CID 104871503
N-(3-methoxycyclobutyl)bicyclo[2.2.1]heptan-2-amine
CID 104584533
2-methyl-N-(3-methylsulfanylcyclopentyl)thiolan-3-amine
CID 102672434
2,2-dimethyl-3-[(3-methylsulfanylcyclohexyl)amino]cyclobutan-1-ol
CID 103952052
1,5-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrrolidin-3-amine
CID 115721214
(3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrrolidin-3-amine
CID 124710062

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptan-2-amine (CID 115886375) is N-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptan-2-amine is CSC1CCCC(NC2CC3CCC2C3)C1.
What is the InChIKey of N-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is QHZOSKWCTMCQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-16-13-4-2-3-12(9-13)15-14-8-10-5-6-11(14)7-10/h10-15H,2-9H2,1H3.
What are the key properties of N-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptan-2-amine?
N-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 239.43 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115886375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).