1-propan-2-ylsulfonyl-4-(triazol-2-yl)piperidine

C10H18N4O2S — CID 121165139

IUPAC1-propan-2-ylsulfonyl-4-(triazol-2-yl)piperidine
SMILESCC(C)S(=O)(=O)N1CCC(n2nccn2)CC1
InChIInChI=1S/C10H18N4O2S/c1-9(2)17(15,16)13-7-3-10(4-8-13)14-11-5-6-12-14/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyKKGVTHQVOFIKPQ-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.65
Rot. Bonds3

About 1-propan-2-ylsulfonyl-4-(triazol-2-yl)piperidine

1-propan-2-ylsulfonyl-4-(triazol-2-yl)piperidine (PubChem CID 121165139) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-propan-2-ylsulfonyl-4-(triazol-2-yl)piperidine.

Molecular Properties

Compound Name1-propan-2-ylsulfonyl-4-(triazol-2-yl)piperidine
PubChem CID121165139
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name1-propan-2-ylsulfonyl-4-(triazol-2-yl)piperidine
SMILESCC(C)S(=O)(=O)N1CCC(n2nccn2)CC1
InChIInChI=1S/C10H18N4O2S/c1-9(2)17(15,16)13-7-3-10(4-8-13)14-11-5-6-12-14/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyKKGVTHQVOFIKPQ-UHFFFAOYSA-N
XLogP0.65
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfonyl-4-(triazol-2-yl)piperidine?
The IUPAC name of 1-propan-2-ylsulfonyl-4-(triazol-2-yl)piperidine (CID 121165139) is 1-propan-2-ylsulfonyl-4-(triazol-2-yl)piperidine.
What is the SMILES notation for 1-propan-2-ylsulfonyl-4-(triazol-2-yl)piperidine?
The canonical SMILES for 1-propan-2-ylsulfonyl-4-(triazol-2-yl)piperidine is CC(C)S(=O)(=O)N1CCC(n2nccn2)CC1.
What is the InChIKey of 1-propan-2-ylsulfonyl-4-(triazol-2-yl)piperidine?
The InChIKey is KKGVTHQVOFIKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-9(2)17(15,16)13-7-3-10(4-8-13)14-11-5-6-12-14/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 1-propan-2-ylsulfonyl-4-(triazol-2-yl)piperidine?
1-propan-2-ylsulfonyl-4-(triazol-2-yl)piperidine has a molecular weight of 258.35 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfonyl-4-(triazol-2-yl)piperidine is sourced from PubChem (CID 121165139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).