[2-(4-chlorophenyl)sulfanylcycloheptyl]methanamine

C14H20ClNS — CID 43530124

IUPAC[2-(4-chlorophenyl)sulfanylcycloheptyl]methanamine
SMILESNCC1CCCCCC1Sc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNS/c15-12-6-8-13(9-7-12)17-14-5-3-1-2-4-11(14)10-16/h6-9,11,14H,1-5,10,16H2
InChIKeyFUCPUUWDCRAUGU-UHFFFAOYSA-N
MW269.84 g/mol
LogP4.34
Rot. Bonds3

About [2-(4-chlorophenyl)sulfanylcycloheptyl]methanamine

[2-(4-chlorophenyl)sulfanylcycloheptyl]methanamine (PubChem CID 43530124) has the molecular formula C14H20ClNS and a molecular weight of 269.84 g/mol. Its IUPAC name is [2-(4-chlorophenyl)sulfanylcycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(4-chlorophenyl)sulfanylcycloheptyl]methanamine
PubChem CID43530124
Molecular FormulaC14H20ClNS
Molecular Weight269.84 g/mol
Exact Mass269.10
IUPAC Name[2-(4-chlorophenyl)sulfanylcycloheptyl]methanamine
SMILESNCC1CCCCCC1Sc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNS/c15-12-6-8-13(9-7-12)17-14-5-3-1-2-4-11(14)10-16/h6-9,11,14H,1-5,10,16H2
InChIKeyFUCPUUWDCRAUGU-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)sulfanylcycloheptyl]methanamine?
The IUPAC name of [2-(4-chlorophenyl)sulfanylcycloheptyl]methanamine (CID 43530124) is [2-(4-chlorophenyl)sulfanylcycloheptyl]methanamine.
What is the SMILES notation for [2-(4-chlorophenyl)sulfanylcycloheptyl]methanamine?
The canonical SMILES for [2-(4-chlorophenyl)sulfanylcycloheptyl]methanamine is NCC1CCCCCC1Sc1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)sulfanylcycloheptyl]methanamine?
The InChIKey is FUCPUUWDCRAUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNS/c15-12-6-8-13(9-7-12)17-14-5-3-1-2-4-11(14)10-16/h6-9,11,14H,1-5,10,16H2.
What are the key properties of [2-(4-chlorophenyl)sulfanylcycloheptyl]methanamine?
[2-(4-chlorophenyl)sulfanylcycloheptyl]methanamine has a molecular weight of 269.84 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)sulfanylcycloheptyl]methanamine is sourced from PubChem (CID 43530124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).