N-(benzylsulfanylmethyl)-N-methylcyclohexanamine

C15H23NS — CID 10422188

IUPACN-(benzylsulfanylmethyl)-N-methylcyclohexanamine
SMILESCN(CSCc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H23NS/c1-16(15-10-6-3-7-11-15)13-17-12-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3
InChIKeyWASVBCMXGHRVIX-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.14
Rot. Bonds5

About N-(benzylsulfanylmethyl)-N-methylcyclohexanamine

N-(benzylsulfanylmethyl)-N-methylcyclohexanamine (PubChem CID 10422188) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-(benzylsulfanylmethyl)-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-(benzylsulfanylmethyl)-N-methylcyclohexanamine
PubChem CID10422188
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-(benzylsulfanylmethyl)-N-methylcyclohexanamine
SMILESCN(CSCc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H23NS/c1-16(15-10-6-3-7-11-15)13-17-12-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3
InChIKeyWASVBCMXGHRVIX-UHFFFAOYSA-N
XLogP4.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(benzylsulfanylmethyl)-N-methylcyclohexanamine?
The IUPAC name of N-(benzylsulfanylmethyl)-N-methylcyclohexanamine (CID 10422188) is N-(benzylsulfanylmethyl)-N-methylcyclohexanamine.
What is the SMILES notation for N-(benzylsulfanylmethyl)-N-methylcyclohexanamine?
The canonical SMILES for N-(benzylsulfanylmethyl)-N-methylcyclohexanamine is CN(CSCc1ccccc1)C1CCCCC1.
What is the InChIKey of N-(benzylsulfanylmethyl)-N-methylcyclohexanamine?
The InChIKey is WASVBCMXGHRVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-16(15-10-6-3-7-11-15)13-17-12-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3.
What are the key properties of N-(benzylsulfanylmethyl)-N-methylcyclohexanamine?
N-(benzylsulfanylmethyl)-N-methylcyclohexanamine has a molecular weight of 249.42 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylsulfanylmethyl)-N-methylcyclohexanamine is sourced from PubChem (CID 10422188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).