1-benzylsulfonyl-3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine

C19H26N4O2S — CID 91911873

IUPAC1-benzylsulfonyl-3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine
SMILESO=S(=O)(Cc1ccccc1)N1CCCC(Cc2nncn2CC2CC2)C1
InChIInChI=1S/C19H26N4O2S/c24-26(25,14-17-5-2-1-3-6-17)23-10-4-7-18(13-23)11-19-21-20-15-22(19)12-16-8-9-16/h1-3,5-6,15-16,18H,4,7-14H2
InChIKeyUKPQQZKRBJHETD-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.47
Rot. Bonds7

About 1-benzylsulfonyl-3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine

1-benzylsulfonyl-3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine (PubChem CID 91911873) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-benzylsulfonyl-3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine.

Molecular Properties

Compound Name1-benzylsulfonyl-3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine
PubChem CID91911873
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name1-benzylsulfonyl-3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine
SMILESO=S(=O)(Cc1ccccc1)N1CCCC(Cc2nncn2CC2CC2)C1
InChIInChI=1S/C19H26N4O2S/c24-26(25,14-17-5-2-1-3-6-17)23-10-4-7-18(13-23)11-19-21-20-15-22(19)12-16-8-9-16/h1-3,5-6,15-16,18H,4,7-14H2
InChIKeyUKPQQZKRBJHETD-UHFFFAOYSA-N
XLogP2.47
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-benzylsulfonyl-3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine?
The IUPAC name of 1-benzylsulfonyl-3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine (CID 91911873) is 1-benzylsulfonyl-3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine.
What is the SMILES notation for 1-benzylsulfonyl-3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine?
The canonical SMILES for 1-benzylsulfonyl-3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine is O=S(=O)(Cc1ccccc1)N1CCCC(Cc2nncn2CC2CC2)C1.
What is the InChIKey of 1-benzylsulfonyl-3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine?
The InChIKey is UKPQQZKRBJHETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c24-26(25,14-17-5-2-1-3-6-17)23-10-4-7-18(13-23)11-19-21-20-15-22(19)12-16-8-9-16/h1-3,5-6,15-16,18H,4,7-14H2.
What are the key properties of 1-benzylsulfonyl-3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine?
1-benzylsulfonyl-3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine has a molecular weight of 374.51 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine is sourced from PubChem (CID 91911873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).