2-cyclopentylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline

C15H20N4S — CID 62755248

IUPAC2-cyclopentylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline
SMILESCn1cc(CNc2ccccc2SC2CCCC2)nn1
InChIInChI=1S/C15H20N4S/c1-19-11-12(17-18-19)10-16-14-8-4-5-9-15(14)20-13-6-2-3-7-13/h4-5,8-9,11,13,16H,2-3,6-7,10H2,1H3
InChIKeyIEGCPJDLSUWFPE-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.46
Rot. Bonds5

About 2-cyclopentylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline

2-cyclopentylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline (PubChem CID 62755248) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline
PubChem CID62755248
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name2-cyclopentylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline
SMILESCn1cc(CNc2ccccc2SC2CCCC2)nn1
InChIInChI=1S/C15H20N4S/c1-19-11-12(17-18-19)10-16-14-8-4-5-9-15(14)20-13-6-2-3-7-13/h4-5,8-9,11,13,16H,2-3,6-7,10H2,1H3
InChIKeyIEGCPJDLSUWFPE-UHFFFAOYSA-N
XLogP3.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62755411
2-cyclopentylsulfanyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43737702
2-(difluoromethylsulfanyl)-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62756281
2-cyclopentylsulfanyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61170826
2-bromo-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62756659
2-(1-chloroethyl)-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 107054054
2-cyclopentylsulfanyl-N-(furan-3-ylmethyl)aniline
CID 63204180
2-cyclopentylsulfanyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756644
2-[(2-cyclopentylsulfanylanilino)methyl]aniline
CID 66419014
2-cyclopentylsulfanyl-N-[(5-ethylfuran-2-yl)methyl]aniline
CID 63447163
N-[(1-methyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 55113792
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylsulfanylaniline
CID 103398743

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline?
The IUPAC name of 2-cyclopentylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline (CID 62755248) is 2-cyclopentylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline is Cn1cc(CNc2ccccc2SC2CCCC2)nn1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline?
The InChIKey is IEGCPJDLSUWFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-19-11-12(17-18-19)10-16-14-8-4-5-9-15(14)20-13-6-2-3-7-13/h4-5,8-9,11,13,16H,2-3,6-7,10H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline?
2-cyclopentylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline has a molecular weight of 288.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline is sourced from PubChem (CID 62755248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).