4-cyclopentylsulfanyl-N-[(3-methyltriazol-4-yl)methyl]aniline

C15H20N4S — CID 115743215

IUPAC4-cyclopentylsulfanyl-N-[(3-methyltriazol-4-yl)methyl]aniline
SMILESCn1nncc1CNc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C15H20N4S/c1-19-13(11-17-18-19)10-16-12-6-8-15(9-7-12)20-14-4-2-3-5-14/h6-9,11,14,16H,2-5,10H2,1H3
InChIKeyOLBTXYVBQQQXEL-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.46
Rot. Bonds5

About 4-cyclopentylsulfanyl-N-[(3-methyltriazol-4-yl)methyl]aniline

4-cyclopentylsulfanyl-N-[(3-methyltriazol-4-yl)methyl]aniline (PubChem CID 115743215) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-cyclopentylsulfanyl-N-[(3-methyltriazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-cyclopentylsulfanyl-N-[(3-methyltriazol-4-yl)methyl]aniline
PubChem CID115743215
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name4-cyclopentylsulfanyl-N-[(3-methyltriazol-4-yl)methyl]aniline
SMILESCn1nncc1CNc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C15H20N4S/c1-19-13(11-17-18-19)10-16-12-6-8-15(9-7-12)20-14-4-2-3-5-14/h6-9,11,14,16H,2-5,10H2,1H3
InChIKeyOLBTXYVBQQQXEL-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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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfanyl-N-[(3-methyltriazol-4-yl)methyl]aniline?
The IUPAC name of 4-cyclopentylsulfanyl-N-[(3-methyltriazol-4-yl)methyl]aniline (CID 115743215) is 4-cyclopentylsulfanyl-N-[(3-methyltriazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-cyclopentylsulfanyl-N-[(3-methyltriazol-4-yl)methyl]aniline?
The canonical SMILES for 4-cyclopentylsulfanyl-N-[(3-methyltriazol-4-yl)methyl]aniline is Cn1nncc1CNc1ccc(SC2CCCC2)cc1.
What is the InChIKey of 4-cyclopentylsulfanyl-N-[(3-methyltriazol-4-yl)methyl]aniline?
The InChIKey is OLBTXYVBQQQXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-19-13(11-17-18-19)10-16-12-6-8-15(9-7-12)20-14-4-2-3-5-14/h6-9,11,14,16H,2-5,10H2,1H3.
What are the key properties of 4-cyclopentylsulfanyl-N-[(3-methyltriazol-4-yl)methyl]aniline?
4-cyclopentylsulfanyl-N-[(3-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 4-cyclopentylsulfanyl-N-[(3-methyltriazol-4-yl)methyl]aniline is sourced from PubChem (CID 115743215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).