2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-cyclopropylsulfonylpiperidine

C14H22N4O2S — CID 87052219

IUPAC2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-cyclopropylsulfonylpiperidine
SMILESO=S(=O)(C1CC1)N1CCCCC1c1nncn1CC1CC1
InChIInChI=1S/C14H22N4O2S/c19-21(20,12-6-7-12)18-8-2-1-3-13(18)14-16-15-10-17(14)9-11-4-5-11/h10-13H,1-9H2
InChIKeyFZOKZCMYMIZGTF-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.71
Rot. Bonds5

About 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-cyclopropylsulfonylpiperidine

2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-cyclopropylsulfonylpiperidine (PubChem CID 87052219) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-cyclopropylsulfonylpiperidine.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-cyclopropylsulfonylpiperidine
PubChem CID87052219
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-cyclopropylsulfonylpiperidine
SMILESO=S(=O)(C1CC1)N1CCCCC1c1nncn1CC1CC1
InChIInChI=1S/C14H22N4O2S/c19-21(20,12-6-7-12)18-8-2-1-3-13(18)14-16-15-10-17(14)9-11-4-5-11/h10-13H,1-9H2
InChIKeyFZOKZCMYMIZGTF-UHFFFAOYSA-N
XLogP1.71
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-cyclopropylsulfonylpiperidine?
The IUPAC name of 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-cyclopropylsulfonylpiperidine (CID 87052219) is 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-cyclopropylsulfonylpiperidine.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-cyclopropylsulfonylpiperidine?
The canonical SMILES for 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-cyclopropylsulfonylpiperidine is O=S(=O)(C1CC1)N1CCCCC1c1nncn1CC1CC1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-cyclopropylsulfonylpiperidine?
The InChIKey is FZOKZCMYMIZGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c19-21(20,12-6-7-12)18-8-2-1-3-13(18)14-16-15-10-17(14)9-11-4-5-11/h10-13H,1-9H2.
What are the key properties of 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-cyclopropylsulfonylpiperidine?
2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-cyclopropylsulfonylpiperidine has a molecular weight of 310.42 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-cyclopropylsulfonylpiperidine is sourced from PubChem (CID 87052219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).