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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Related Compounds

1-Methylsulfonyl-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 47034021
3-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 53613481
3-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 53623463
3-[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propane-1-sulfonamide
CID 72141808
1-(3-Methylbutylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 75443725
1-(3-Fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 75443726
4-[3-(4-Propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylbutanenitrile
CID 75443727
1-(Cyclopentylmethylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 84599406
2-[4-(Cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine
CID 87052215
2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-(cyclopropylsulfonyl)piperidine
CID 87052219
N-{1-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl}methanesulfonamide
CID 77093819
(3S)-1-but-3-enylsulfonyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 97613791

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).