3-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine

C15H24N4S — CID 62355846

IUPAC3-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
SMILESC1CNCC(CCSc2nnc(C3CC3)n2C2CC2)C1
InChIInChI=1S/C15H24N4S/c1-2-11(10-16-8-1)7-9-20-15-18-17-14(12-3-4-12)19(15)13-5-6-13/h11-13,16H,1-10H2
InChIKeyYXCYGCXMXPCCKH-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.97
Rot. Bonds6

About 3-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine

3-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine (PubChem CID 62355846) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine.

Molecular Properties

Compound Name3-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
PubChem CID62355846
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name3-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
SMILESC1CNCC(CCSc2nnc(C3CC3)n2C2CC2)C1
InChIInChI=1S/C15H24N4S/c1-2-11(10-16-8-1)7-9-20-15-18-17-14(12-3-4-12)19(15)13-5-6-13/h11-13,16H,1-10H2
InChIKeyYXCYGCXMXPCCKH-UHFFFAOYSA-N
XLogP2.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentan-1-amine
CID 79576666
3-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 63459585
3-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]piperidine
CID 62357887
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
CID 64533866
3-(2-piperidin-3-ylethylsulfanyl)-1,2,4-triazol-4-amine
CID 62357559
3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 62357888
3-(azetidin-3-ylsulfanyl)-4,5-dicyclopropyl-1,2,4-triazole
CID 62783896
1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-amine
CID 64619892
N-carbamoyl-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 47135790
6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]hexan-2-one
CID 43794022
3-[2-(2-chlorophenyl)ethylsulfanyl]-4,5-dicyclopropyl-1,2,4-triazole
CID 60603455
2-[[5-cyclopropyl-4-(4-ethylcyclohexyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 61470083

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine?
The IUPAC name of 3-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine (CID 62355846) is 3-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine.
What is the SMILES notation for 3-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine?
The canonical SMILES for 3-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine is C1CNCC(CCSc2nnc(C3CC3)n2C2CC2)C1.
What is the InChIKey of 3-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine?
The InChIKey is YXCYGCXMXPCCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-2-11(10-16-8-1)7-9-20-15-18-17-14(12-3-4-12)19(15)13-5-6-13/h11-13,16H,1-10H2.
What are the key properties of 3-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine?
3-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine has a molecular weight of 292.45 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine is sourced from PubChem (CID 62355846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).