N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide

C13H24N2O3S — CID 110823079

IUPACN-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
SMILESCCCCS(=O)(=O)N1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C13H24N2O3S/c1-2-3-10-19(17,18)15-8-6-12(7-9-15)14-13(16)11-4-5-11/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyHBEJTVJYKRTLEY-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.11
Rot. Bonds6

About N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide

N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide (PubChem CID 110823079) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
PubChem CID110823079
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
SMILESCCCCS(=O)(=O)N1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C13H24N2O3S/c1-2-3-10-19(17,18)15-8-6-12(7-9-15)14-13(16)11-4-5-11/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyHBEJTVJYKRTLEY-UHFFFAOYSA-N
XLogP1.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-ethylsulfonylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 61275448
N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide
CID 108562840
1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide
CID 6472564
1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430937
1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 55788014
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 43425928
1-cycloheptyl-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 86992837
methyl 4-[4-(propanoylamino)piperidin-1-yl]sulfonylbutanoate
CID 61460432
N-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 108563028
N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 108561858
1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 60559721
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide
CID 43696323

Frequently Asked Questions

What is the IUPAC name of N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide?
The IUPAC name of N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide (CID 110823079) is N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide is CCCCS(=O)(=O)N1CCC(NC(=O)C2CC2)CC1.
What is the InChIKey of N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide?
The InChIKey is HBEJTVJYKRTLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-2-3-10-19(17,18)15-8-6-12(7-9-15)14-13(16)11-4-5-11/h11-12H,2-10H2,1H3,(H,14,16).
What are the key properties of N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide?
N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide has a molecular weight of 288.41 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide is sourced from PubChem (CID 110823079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).