[4-(benzenesulfonyl)piperidin-1-yl]-cyclopropylmethanone

C15H19NO3S — CID 71808736

IUPAC[4-(benzenesulfonyl)piperidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCC(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H19NO3S/c17-15(12-6-7-12)16-10-8-14(9-11-16)20(18,19)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2
InChIKeyWRYRYUORNNBQFP-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.86
Rot. Bonds3

About [4-(benzenesulfonyl)piperidin-1-yl]-cyclopropylmethanone

[4-(benzenesulfonyl)piperidin-1-yl]-cyclopropylmethanone (PubChem CID 71808736) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperidin-1-yl]-cyclopropylmethanone
PubChem CID71808736
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name[4-(benzenesulfonyl)piperidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCC(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H19NO3S/c17-15(12-6-7-12)16-10-8-14(9-11-16)20(18,19)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2
InChIKeyWRYRYUORNNBQFP-UHFFFAOYSA-N
XLogP1.86
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Benzenesulfonyl)-1-piperidin-1-ylethanone
CID 975540
2-(Benzylsulfonyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 1094083
3-(4-Morpholinyl)-3-oxopropyl phenyl sulfone
CID 772989
1-(Azepan-1-yl)-2-(benzenesulfonyl)ethanone
CID 851316
2-Methyl-1-({1-[(4-methylphenyl)sulfonyl]cyclopropyl}carbonyl)piperidine
CID 3238472
[1-(Benzenesulfonyl)cyclopent-3-en-1-yl]-piperidin-1-ylmethanone
CID 24816513
3-(Benzenesulfonyl)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 6459212
AC1Lgqzx
CID 875426
1-(3-Phenylsulfanyl-propionyl)-piperidine-4-carboxylic acid amide
CID 769769
1-[3-(Benzylsulfonyl)propanoyl]-3-methylpiperidine
CID 2975730
3-Methyl-1-({1-[(4-methylphenyl)sulfonyl]cyclopropyl}carbonyl)piperidine
CID 3243009
1-[2-(Phenylsulfonyl)ethyl]piperidine
CID 786875

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-(benzenesulfonyl)piperidin-1-yl]-cyclopropylmethanone (CID 71808736) is [4-(benzenesulfonyl)piperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(benzenesulfonyl)piperidin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCC(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperidin-1-yl]-cyclopropylmethanone?
The InChIKey is WRYRYUORNNBQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c17-15(12-6-7-12)16-10-8-14(9-11-16)20(18,19)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2.
What are the key properties of [4-(benzenesulfonyl)piperidin-1-yl]-cyclopropylmethanone?
[4-(benzenesulfonyl)piperidin-1-yl]-cyclopropylmethanone has a molecular weight of 293.39 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 71808736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).