1-cyclopropylsulfonyl-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine

C16H24N6O2S — CID 72891752

IUPAC1-cyclopropylsulfonyl-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine
SMILESCc1nccn1Cc1nnc(C2CCCN(S(=O)(=O)C3CC3)C2)n1C
InChIInChI=1S/C16H24N6O2S/c1-12-17-7-9-21(12)11-15-18-19-16(20(15)2)13-4-3-8-22(10-13)25(23,24)14-5-6-14/h7,9,13-14H,3-6,8,10-11H2,1-2H3
InChIKeyFZKRYLSDOLVICR-UHFFFAOYSA-N
MW364.48 g/mol
LogP1.04
Rot. Bonds5

About 1-cyclopropylsulfonyl-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine

1-cyclopropylsulfonyl-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine (PubChem CID 72891752) has the molecular formula C16H24N6O2S and a molecular weight of 364.48 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine
PubChem CID72891752
Molecular FormulaC16H24N6O2S
Molecular Weight364.48 g/mol
Exact Mass364.17
IUPAC Name1-cyclopropylsulfonyl-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine
SMILESCc1nccn1Cc1nnc(C2CCCN(S(=O)(=O)C3CC3)C2)n1C
InChIInChI=1S/C16H24N6O2S/c1-12-17-7-9-21(12)11-15-18-19-16(20(15)2)13-4-3-8-22(10-13)25(23,24)14-5-6-14/h7,9,13-14H,3-6,8,10-11H2,1-2H3
InChIKeyFZKRYLSDOLVICR-UHFFFAOYSA-N
XLogP1.04
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 1-cyclopropylsulfonyl-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine (CID 72891752) is 1-cyclopropylsulfonyl-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 1-cyclopropylsulfonyl-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 1-cyclopropylsulfonyl-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine is Cc1nccn1Cc1nnc(C2CCCN(S(=O)(=O)C3CC3)C2)n1C.
What is the InChIKey of 1-cyclopropylsulfonyl-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine?
The InChIKey is FZKRYLSDOLVICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2S/c1-12-17-7-9-21(12)11-15-18-19-16(20(15)2)13-4-3-8-22(10-13)25(23,24)14-5-6-14/h7,9,13-14H,3-6,8,10-11H2,1-2H3.
What are the key properties of 1-cyclopropylsulfonyl-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine?
1-cyclopropylsulfonyl-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine has a molecular weight of 364.48 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 72891752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).