N-(cyclopentylmethyl)-2-(2,5-dichlorophenyl)sulfanylethanamine

C14H19Cl2NS — CID 55195538

IUPACN-(cyclopentylmethyl)-2-(2,5-dichlorophenyl)sulfanylethanamine
SMILESClc1ccc(Cl)c(SCCNCC2CCCC2)c1
InChIInChI=1S/C14H19Cl2NS/c15-12-5-6-13(16)14(9-12)18-8-7-17-10-11-3-1-2-4-11/h5-6,9,11,17H,1-4,7-8,10H2
InChIKeyZWNVVXQOSOIZFG-UHFFFAOYSA-N
MW304.29 g/mol
LogP4.87
Rot. Bonds6

About N-(cyclopentylmethyl)-2-(2,5-dichlorophenyl)sulfanylethanamine

N-(cyclopentylmethyl)-2-(2,5-dichlorophenyl)sulfanylethanamine (PubChem CID 55195538) has the molecular formula C14H19Cl2NS and a molecular weight of 304.29 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(2,5-dichlorophenyl)sulfanylethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(2,5-dichlorophenyl)sulfanylethanamine
PubChem CID55195538
Molecular FormulaC14H19Cl2NS
Molecular Weight304.29 g/mol
Exact Mass303.06
IUPAC NameN-(cyclopentylmethyl)-2-(2,5-dichlorophenyl)sulfanylethanamine
SMILESClc1ccc(Cl)c(SCCNCC2CCCC2)c1
InChIInChI=1S/C14H19Cl2NS/c15-12-5-6-13(16)14(9-12)18-8-7-17-10-11-3-1-2-4-11/h5-6,9,11,17H,1-4,7-8,10H2
InChIKeyZWNVVXQOSOIZFG-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(2,5-dichlorophenyl)sulfanylethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-(2,5-dichlorophenyl)sulfanylethanamine (CID 55195538) is N-(cyclopentylmethyl)-2-(2,5-dichlorophenyl)sulfanylethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(2,5-dichlorophenyl)sulfanylethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-(2,5-dichlorophenyl)sulfanylethanamine is Clc1ccc(Cl)c(SCCNCC2CCCC2)c1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(2,5-dichlorophenyl)sulfanylethanamine?
The InChIKey is ZWNVVXQOSOIZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NS/c15-12-5-6-13(16)14(9-12)18-8-7-17-10-11-3-1-2-4-11/h5-6,9,11,17H,1-4,7-8,10H2.
What are the key properties of N-(cyclopentylmethyl)-2-(2,5-dichlorophenyl)sulfanylethanamine?
N-(cyclopentylmethyl)-2-(2,5-dichlorophenyl)sulfanylethanamine has a molecular weight of 304.29 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(2,5-dichlorophenyl)sulfanylethanamine is sourced from PubChem (CID 55195538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).