1-cyclopentyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylmethanamine

C17H23N3O3S — CID 71986907

IUPAC1-cyclopentyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylmethanamine
SMILESCS(=O)(=O)Cc1noc(CNC(c2ccccc2)C2CCCC2)n1
InChIInChI=1S/C17H23N3O3S/c1-24(21,22)12-15-19-16(23-20-15)11-18-17(14-9-5-6-10-14)13-7-3-2-4-8-13/h2-4,7-8,14,17-18H,5-6,9-12H2,1H3
InChIKeyAZMKLAPYXWQYJB-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.64
Rot. Bonds7

About 1-cyclopentyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylmethanamine

1-cyclopentyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylmethanamine (PubChem CID 71986907) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylmethanamine
PubChem CID71986907
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name1-cyclopentyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylmethanamine
SMILESCS(=O)(=O)Cc1noc(CNC(c2ccccc2)C2CCCC2)n1
InChIInChI=1S/C17H23N3O3S/c1-24(21,22)12-15-19-16(23-20-15)11-18-17(14-9-5-6-10-14)13-7-3-2-4-8-13/h2-4,7-8,14,17-18H,5-6,9-12H2,1H3
InChIKeyAZMKLAPYXWQYJB-UHFFFAOYSA-N
XLogP2.64
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 63349793
N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 61020638
5-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-ylmethyl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 75374964
[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 63844903
2-methyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 63065067
N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 119041788
2-[[cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 56785981
2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 95619544
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
N-[(S)-cyclopropyl(phenyl)methyl]methanesulfonamide
CID 94197122
N-cyclopropyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-inden-1-amine
CID 71986989
1-(3-chlorophenyl)-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine
CID 75497336

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylmethanamine?
The IUPAC name of 1-cyclopentyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylmethanamine (CID 71986907) is 1-cyclopentyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for 1-cyclopentyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for 1-cyclopentyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylmethanamine is CS(=O)(=O)Cc1noc(CNC(c2ccccc2)C2CCCC2)n1.
What is the InChIKey of 1-cyclopentyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylmethanamine?
The InChIKey is AZMKLAPYXWQYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-24(21,22)12-15-19-16(23-20-15)11-18-17(14-9-5-6-10-14)13-7-3-2-4-8-13/h2-4,7-8,14,17-18H,5-6,9-12H2,1H3.
What are the key properties of 1-cyclopentyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylmethanamine?
1-cyclopentyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylmethanamine has a molecular weight of 349.46 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 71986907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).