[1-(4-methylphenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone

C16H21NO3S — CID 3474443

IUPAC[1-(4-methylphenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone
SMILESCc1ccc(S(=O)(=O)C2(C(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C16H21NO3S/c1-13-5-7-14(8-6-13)21(19,20)16(9-10-16)15(18)17-11-3-2-4-12-17/h5-8H,2-4,9-12H2,1H3
InChIKeyWCXCWPMAXKSEIY-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.31
Rot. Bonds3

About [1-(4-methylphenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone

[1-(4-methylphenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone (PubChem CID 3474443) has the molecular formula C16H21NO3S and a molecular weight of 307.41 g/mol. Its IUPAC name is [1-(4-methylphenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-methylphenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone
PubChem CID3474443
Molecular FormulaC16H21NO3S
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC Name[1-(4-methylphenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone
SMILESCc1ccc(S(=O)(=O)C2(C(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C16H21NO3S/c1-13-5-7-14(8-6-13)21(19,20)16(9-10-16)15(18)17-11-3-2-4-12-17/h5-8H,2-4,9-12H2,1H3
InChIKeyWCXCWPMAXKSEIY-UHFFFAOYSA-N
XLogP2.31
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-methylphenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone (CID 3474443) is [1-(4-methylphenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-methylphenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-methylphenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone is Cc1ccc(S(=O)(=O)C2(C(=O)N3CCCCC3)CC2)cc1.
What is the InChIKey of [1-(4-methylphenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone?
The InChIKey is WCXCWPMAXKSEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-13-5-7-14(8-6-13)21(19,20)16(9-10-16)15(18)17-11-3-2-4-12-17/h5-8H,2-4,9-12H2,1H3.
What are the key properties of [1-(4-methylphenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone?
[1-(4-methylphenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone has a molecular weight of 307.41 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 3474443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).