4-(1-butylimidazol-2-yl)-1-propan-2-ylsulfonylpiperidine

C15H27N3O2S — CID 72924987

IUPAC4-(1-butylimidazol-2-yl)-1-propan-2-ylsulfonylpiperidine
SMILESCCCCn1ccnc1C1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C15H27N3O2S/c1-4-5-9-17-12-8-16-15(17)14-6-10-18(11-7-14)21(19,20)13(2)3/h8,12-14H,4-7,9-11H2,1-3H3
InChIKeyQHWZCIGSUZQFJS-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.60
Rot. Bonds6

About 4-(1-butylimidazol-2-yl)-1-propan-2-ylsulfonylpiperidine

4-(1-butylimidazol-2-yl)-1-propan-2-ylsulfonylpiperidine (PubChem CID 72924987) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 4-(1-butylimidazol-2-yl)-1-propan-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name4-(1-butylimidazol-2-yl)-1-propan-2-ylsulfonylpiperidine
PubChem CID72924987
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name4-(1-butylimidazol-2-yl)-1-propan-2-ylsulfonylpiperidine
SMILESCCCCn1ccnc1C1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C15H27N3O2S/c1-4-5-9-17-12-8-16-15(17)14-6-10-18(11-7-14)21(19,20)13(2)3/h8,12-14H,4-7,9-11H2,1-3H3
InChIKeyQHWZCIGSUZQFJS-UHFFFAOYSA-N
XLogP2.60
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-butylimidazol-2-yl)-1-propan-2-ylsulfonylpiperidine?
The IUPAC name of 4-(1-butylimidazol-2-yl)-1-propan-2-ylsulfonylpiperidine (CID 72924987) is 4-(1-butylimidazol-2-yl)-1-propan-2-ylsulfonylpiperidine.
What is the SMILES notation for 4-(1-butylimidazol-2-yl)-1-propan-2-ylsulfonylpiperidine?
The canonical SMILES for 4-(1-butylimidazol-2-yl)-1-propan-2-ylsulfonylpiperidine is CCCCn1ccnc1C1CCN(S(=O)(=O)C(C)C)CC1.
What is the InChIKey of 4-(1-butylimidazol-2-yl)-1-propan-2-ylsulfonylpiperidine?
The InChIKey is QHWZCIGSUZQFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-4-5-9-17-12-8-16-15(17)14-6-10-18(11-7-14)21(19,20)13(2)3/h8,12-14H,4-7,9-11H2,1-3H3.
What are the key properties of 4-(1-butylimidazol-2-yl)-1-propan-2-ylsulfonylpiperidine?
4-(1-butylimidazol-2-yl)-1-propan-2-ylsulfonylpiperidine has a molecular weight of 313.47 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butylimidazol-2-yl)-1-propan-2-ylsulfonylpiperidine is sourced from PubChem (CID 72924987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).