1-cyclopropylsulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine

C12H20N4O2S — CID 110875669

IUPAC1-cyclopropylsulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine
SMILESCCc1nncn1C1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C12H20N4O2S/c1-2-12-14-13-9-16(12)10-5-7-15(8-6-10)19(17,18)11-3-4-11/h9-11H,2-8H2,1H3
InChIKeyICYCMUDOOHQQNP-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.97
Rot. Bonds4

About 1-cyclopropylsulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine

1-cyclopropylsulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine (PubChem CID 110875669) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine
PubChem CID110875669
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name1-cyclopropylsulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine
SMILESCCc1nncn1C1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C12H20N4O2S/c1-2-12-14-13-9-16(12)10-5-7-15(8-6-10)19(17,18)11-3-4-11/h9-11H,2-8H2,1H3
InChIKeyICYCMUDOOHQQNP-UHFFFAOYSA-N
XLogP0.97
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine?
The IUPAC name of 1-cyclopropylsulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine (CID 110875669) is 1-cyclopropylsulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine.
What is the SMILES notation for 1-cyclopropylsulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine?
The canonical SMILES for 1-cyclopropylsulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine is CCc1nncn1C1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 1-cyclopropylsulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine?
The InChIKey is ICYCMUDOOHQQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-2-12-14-13-9-16(12)10-5-7-15(8-6-10)19(17,18)11-3-4-11/h9-11H,2-8H2,1H3.
What are the key properties of 1-cyclopropylsulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine?
1-cyclopropylsulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine has a molecular weight of 284.38 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine is sourced from PubChem (CID 110875669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).