1-(2-methylpropylsulfonyl)-4-(triazol-1-yl)piperidine

C11H20N4O2S — CID 121151394

IUPAC1-(2-methylpropylsulfonyl)-4-(triazol-1-yl)piperidine
SMILESCC(C)CS(=O)(=O)N1CCC(n2ccnn2)CC1
InChIInChI=1S/C11H20N4O2S/c1-10(2)9-18(16,17)14-6-3-11(4-7-14)15-8-5-12-13-15/h5,8,10-11H,3-4,6-7,9H2,1-2H3
InChIKeyYSSJNFOBTZLECI-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.90
Rot. Bonds4

About 1-(2-methylpropylsulfonyl)-4-(triazol-1-yl)piperidine

1-(2-methylpropylsulfonyl)-4-(triazol-1-yl)piperidine (PubChem CID 121151394) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(2-methylpropylsulfonyl)-4-(triazol-1-yl)piperidine.

Molecular Properties

Compound Name1-(2-methylpropylsulfonyl)-4-(triazol-1-yl)piperidine
PubChem CID121151394
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name1-(2-methylpropylsulfonyl)-4-(triazol-1-yl)piperidine
SMILESCC(C)CS(=O)(=O)N1CCC(n2ccnn2)CC1
InChIInChI=1S/C11H20N4O2S/c1-10(2)9-18(16,17)14-6-3-11(4-7-14)15-8-5-12-13-15/h5,8,10-11H,3-4,6-7,9H2,1-2H3
InChIKeyYSSJNFOBTZLECI-UHFFFAOYSA-N
XLogP0.90
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylsulfonyl)-4-(triazol-1-yl)piperidine?
The IUPAC name of 1-(2-methylpropylsulfonyl)-4-(triazol-1-yl)piperidine (CID 121151394) is 1-(2-methylpropylsulfonyl)-4-(triazol-1-yl)piperidine.
What is the SMILES notation for 1-(2-methylpropylsulfonyl)-4-(triazol-1-yl)piperidine?
The canonical SMILES for 1-(2-methylpropylsulfonyl)-4-(triazol-1-yl)piperidine is CC(C)CS(=O)(=O)N1CCC(n2ccnn2)CC1.
What is the InChIKey of 1-(2-methylpropylsulfonyl)-4-(triazol-1-yl)piperidine?
The InChIKey is YSSJNFOBTZLECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-10(2)9-18(16,17)14-6-3-11(4-7-14)15-8-5-12-13-15/h5,8,10-11H,3-4,6-7,9H2,1-2H3.
What are the key properties of 1-(2-methylpropylsulfonyl)-4-(triazol-1-yl)piperidine?
1-(2-methylpropylsulfonyl)-4-(triazol-1-yl)piperidine has a molecular weight of 272.37 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylsulfonyl)-4-(triazol-1-yl)piperidine is sourced from PubChem (CID 121151394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).