2-cyclohexylsulfanylcycloheptan-1-amine

C13H25NS — CID 64632242

IUPAC2-cyclohexylsulfanylcycloheptan-1-amine
SMILESNC1CCCCCC1SC1CCCCC1
InChIInChI=1S/C13H25NS/c14-12-9-5-2-6-10-13(12)15-11-7-3-1-4-8-11/h11-13H,1-10,14H2
InChIKeyMOKRATKFOPNTNC-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.71
Rot. Bonds2

About 2-cyclohexylsulfanylcycloheptan-1-amine

2-cyclohexylsulfanylcycloheptan-1-amine (PubChem CID 64632242) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is 2-cyclohexylsulfanylcycloheptan-1-amine.

Molecular Properties

Compound Name2-cyclohexylsulfanylcycloheptan-1-amine
PubChem CID64632242
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name2-cyclohexylsulfanylcycloheptan-1-amine
SMILESNC1CCCCCC1SC1CCCCC1
InChIInChI=1S/C13H25NS/c14-12-9-5-2-6-10-13(12)15-11-7-3-1-4-8-11/h11-13H,1-10,14H2
InChIKeyMOKRATKFOPNTNC-UHFFFAOYSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanylcycloheptan-1-amine?
The IUPAC name of 2-cyclohexylsulfanylcycloheptan-1-amine (CID 64632242) is 2-cyclohexylsulfanylcycloheptan-1-amine.
What is the SMILES notation for 2-cyclohexylsulfanylcycloheptan-1-amine?
The canonical SMILES for 2-cyclohexylsulfanylcycloheptan-1-amine is NC1CCCCCC1SC1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfanylcycloheptan-1-amine?
The InChIKey is MOKRATKFOPNTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c14-12-9-5-2-6-10-13(12)15-11-7-3-1-4-8-11/h11-13H,1-10,14H2.
What are the key properties of 2-cyclohexylsulfanylcycloheptan-1-amine?
2-cyclohexylsulfanylcycloheptan-1-amine has a molecular weight of 227.42 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanylcycloheptan-1-amine is sourced from PubChem (CID 64632242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).