1-cyclopropylsulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine

C14H23N3O2S — CID 72921651

IUPAC1-cyclopropylsulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine
SMILESCC(C)n1ccnc1C1CCCN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C14H23N3O2S/c1-11(2)17-9-7-15-14(17)12-4-3-8-16(10-12)20(18,19)13-5-6-13/h7,9,11-13H,3-6,8,10H2,1-2H3
InChIKeyJYQYDYKPDFKQOQ-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.14
Rot. Bonds4

About 1-cyclopropylsulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine

1-cyclopropylsulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine (PubChem CID 72921651) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine
PubChem CID72921651
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-cyclopropylsulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine
SMILESCC(C)n1ccnc1C1CCCN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C14H23N3O2S/c1-11(2)17-9-7-15-14(17)12-4-3-8-16(10-12)20(18,19)13-5-6-13/h7,9,11-13H,3-6,8,10H2,1-2H3
InChIKeyJYQYDYKPDFKQOQ-UHFFFAOYSA-N
XLogP2.14
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine?
The IUPAC name of 1-cyclopropylsulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine (CID 72921651) is 1-cyclopropylsulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine.
What is the SMILES notation for 1-cyclopropylsulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine?
The canonical SMILES for 1-cyclopropylsulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine is CC(C)n1ccnc1C1CCCN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of 1-cyclopropylsulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine?
The InChIKey is JYQYDYKPDFKQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11(2)17-9-7-15-14(17)12-4-3-8-16(10-12)20(18,19)13-5-6-13/h7,9,11-13H,3-6,8,10H2,1-2H3.
What are the key properties of 1-cyclopropylsulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine?
1-cyclopropylsulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine has a molecular weight of 297.42 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine is sourced from PubChem (CID 72921651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).