[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine

C9H15N3OS — CID 65141214

IUPAC[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(CSC2CCCC2)no1
InChIInChI=1S/C9H15N3OS/c10-5-9-11-8(12-13-9)6-14-7-3-1-2-4-7/h7H,1-6,10H2
InChIKeyMXTNKROHRJUDOB-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.70
Rot. Bonds4

About [3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 65141214) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is [3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID65141214
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(CSC2CCCC2)no1
InChIInChI=1S/C9H15N3OS/c10-5-9-11-8(12-13-9)6-14-7-3-1-2-4-7/h7H,1-6,10H2
InChIKeyMXTNKROHRJUDOB-UHFFFAOYSA-N
XLogP1.70
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-chloropropyl)-3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazole
CID 65141260
5-(azetidin-3-ylmethyl)-3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazole
CID 65139664
N-[[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 65140557
4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 65139161
3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-one
CID 65140245
2-[[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106482965
3-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-one
CID 65144227
1-[[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 65140812
3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine
CID 65261429
4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanoic acid
CID 65139112
2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222042
(1R)-1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901643

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 65141214) is [3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(CSC2CCCC2)no1.
What is the InChIKey of [3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is MXTNKROHRJUDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c10-5-9-11-8(12-13-9)6-14-7-3-1-2-4-7/h7H,1-6,10H2.
What are the key properties of [3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 213.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 65141214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).