[1-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine

C15H18ClN3OS — CID 115433795

IUPAC[1-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESNCC1(c2nc(CSc3ccc(Cl)cc3)no2)CCCC1
InChIInChI=1S/C15H18ClN3OS/c16-11-3-5-12(6-4-11)21-9-13-18-14(20-19-13)15(10-17)7-1-2-8-15/h3-6H,1-2,7-10,17H2
InChIKeySTUGFQXMHIIOCH-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.79
Rot. Bonds5

About [1-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine

[1-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (PubChem CID 115433795) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is [1-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
PubChem CID115433795
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name[1-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESNCC1(c2nc(CSc3ccc(Cl)cc3)no2)CCCC1
InChIInChI=1S/C15H18ClN3OS/c16-11-3-5-12(6-4-11)21-9-13-18-14(20-19-13)15(10-17)7-1-2-8-15/h3-6H,1-2,7-10,17H2
InChIKeySTUGFQXMHIIOCH-UHFFFAOYSA-N
XLogP3.79
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The IUPAC name of [1-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (CID 115433795) is [1-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The canonical SMILES for [1-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is NCC1(c2nc(CSc3ccc(Cl)cc3)no2)CCCC1.
What is the InChIKey of [1-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The InChIKey is STUGFQXMHIIOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c16-11-3-5-12(6-4-11)21-9-13-18-14(20-19-13)15(10-17)7-1-2-8-15/h3-6H,1-2,7-10,17H2.
What are the key properties of [1-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
[1-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine has a molecular weight of 323.85 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is sourced from PubChem (CID 115433795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).