3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine

C10H18N4S — CID 62357888

IUPAC3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
SMILESCn1cnnc1SCCC1CCCNC1
InChIInChI=1S/C10H18N4S/c1-14-8-12-13-10(14)15-6-4-9-3-2-5-11-7-9/h8-9,11H,2-7H2,1H3
InChIKeyOOTYCRBOLQNPGV-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.30
Rot. Bonds4

About 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine

3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine (PubChem CID 62357888) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine.

Molecular Properties

Compound Name3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
PubChem CID62357888
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
SMILESCn1cnnc1SCCC1CCCNC1
InChIInChI=1S/C10H18N4S/c1-14-8-12-13-10(14)15-6-4-9-3-2-5-11-7-9/h8-9,11H,2-7H2,1H3
InChIKeyOOTYCRBOLQNPGV-UHFFFAOYSA-N
XLogP1.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine 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

3-(2-piperidin-3-ylethylsulfanyl)-1,2,4-triazol-4-amine
CID 62357559
3-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 63459585
3-(cycloheptylmethylsulfanyl)-4-methyl-1,2,4-triazole
CID 86790923
3-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]piperidine
CID 62357887
3-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 62355846
1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazine
CID 141181346
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
CID 64533262
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-piperidin-3-ylpropanamide
CID 63330246
3-[2-(2-methylphenyl)sulfanylethyl]piperidine
CID 62357221
4-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]azepane
CID 176697634
3-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]piperidine
CID 62357214
4-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]-1,2,4-triazole
CID 97011669

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine?
The IUPAC name of 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine (CID 62357888) is 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine.
What is the SMILES notation for 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine?
The canonical SMILES for 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine is Cn1cnnc1SCCC1CCCNC1.
What is the InChIKey of 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine?
The InChIKey is OOTYCRBOLQNPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-14-8-12-13-10(14)15-6-4-9-3-2-5-11-7-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine?
3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine has a molecular weight of 226.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine is sourced from PubChem (CID 62357888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).