N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide

C12H21N5OS — CID 6489486

IUPACN-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCCn1c(CNC(=O)N2CCCCC2)nnc1SC
InChIInChI=1S/C12H21N5OS/c1-3-17-10(14-15-12(17)19-2)9-13-11(18)16-7-5-4-6-8-16/h3-9H2,1-2H3,(H,13,18)
InChIKeyNLSLVXFGHNGLBB-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.72
Rot. Bonds4

About N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide

N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 6489486) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
PubChem CID6489486
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC NameN-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCCn1c(CNC(=O)N2CCCCC2)nnc1SC
InChIInChI=1S/C12H21N5OS/c1-3-17-10(14-15-12(17)19-2)9-13-11(18)16-7-5-4-6-8-16/h3-9H2,1-2H3,(H,13,18)
InChIKeyNLSLVXFGHNGLBB-UHFFFAOYSA-N
XLogP1.72
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 3231964
[4-(4-Ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 3231965
N-cyclohexyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 3231958
1,1-Diethyl-3-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]urea
CID 3232083
N-cyclohexyl-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 3232031
1,1-Diethyl-3-[(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 3232061
1-Cyclohexyl-3-[2-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]urea
CID 3232088
N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
CID 6489567
1-Cyclohexyl-3-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]urea
CID 6489571
[2-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-piperidin-1-ylmethanone
CID 6489449
N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 6489488
N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 6489490

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide (CID 6489486) is N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide is CCn1c(CNC(=O)N2CCCCC2)nnc1SC.
What is the InChIKey of N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The InChIKey is NLSLVXFGHNGLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-3-17-10(14-15-12(17)19-2)9-13-11(18)16-7-5-4-6-8-16/h3-9H2,1-2H3,(H,13,18).
What are the key properties of N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 6489486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).