N-cyclohexyl-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide

C15H25N5OS — CID 3232031

IUPACN-cyclohexyl-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
SMILESCSc1nnc(C2CCCN2C(=O)NC2CCCCC2)n1C
InChIInChI=1S/C15H25N5OS/c1-19-13(17-18-15(19)22-2)12-9-6-10-20(12)14(21)16-11-7-4-3-5-8-11/h11-12H,3-10H2,1-2H3,(H,16,21)
InChIKeyJMLWBXHYOCIMMR-UHFFFAOYSA-N
MW323.47 g/mol
LogP2.72
Rot. Bonds3

About N-cyclohexyl-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide

N-cyclohexyl-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 3232031) has the molecular formula C15H25N5OS and a molecular weight of 323.47 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID3232031
Molecular FormulaC15H25N5OS
Molecular Weight323.47 g/mol
Exact Mass323.18
IUPAC NameN-cyclohexyl-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
SMILESCSc1nnc(C2CCCN2C(=O)NC2CCCCC2)n1C
InChIInChI=1S/C15H25N5OS/c1-19-13(17-18-15(19)22-2)12-9-6-10-20(12)14(21)16-11-7-4-3-5-8-11/h11-12H,3-10H2,1-2H3,(H,16,21)
InChIKeyJMLWBXHYOCIMMR-UHFFFAOYSA-N
XLogP2.72
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-Cyclohexyl-2-(5-isopropyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1451347
2-[(5-butyl-4-methyl-4H-1,2,4-triazol-3-yl)thio]-N-cyclohexylacetamide
CID 2988768
N-cyclohexyl-2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6464282
4-Methyl-3-methylsulfanyl-5-pyrrolidin-2-YL-4H-[1,2,4]triazole hydrochloride
CID 6602539
4-Methyl-3-methylsulfanyl-5-pyrrolidin-2-yl-1,2,4-triazole
CID 646187
N-propan-2-yl-3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 118740466
N-cyclohexyl-3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 118740469
N-cyclohexyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidine-1-carboxamide
CID 118740589
Sdccgsbi-0662600.P001
CID 134789236
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-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyrrolidine-1-carboxamide
CID 6489462

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide (CID 3232031) is N-cyclohexyl-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide is CSc1nnc(C2CCCN2C(=O)NC2CCCCC2)n1C.
What is the InChIKey of N-cyclohexyl-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is JMLWBXHYOCIMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5OS/c1-19-13(17-18-15(19)22-2)12-9-6-10-20(12)14(21)16-11-7-4-3-5-8-11/h11-12H,3-10H2,1-2H3,(H,16,21).
What are the key properties of N-cyclohexyl-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
N-cyclohexyl-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 323.47 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 3232031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).