1-(benzenesulfonyl)-3-(1-methylcyclobutyl)propan-2-one

C14H18O3S — CID 10901549

IUPAC1-(benzenesulfonyl)-3-(1-methylcyclobutyl)propan-2-one
SMILESCC1(CC(=O)CS(=O)(=O)c2ccccc2)CCC1
InChIInChI=1S/C14H18O3S/c1-14(8-5-9-14)10-12(15)11-18(16,17)13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3
InChIKeyYGENCSRMNRGYHP-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.61
Rot. Bonds5

About 1-(benzenesulfonyl)-3-(1-methylcyclobutyl)propan-2-one

1-(benzenesulfonyl)-3-(1-methylcyclobutyl)propan-2-one (PubChem CID 10901549) has the molecular formula C14H18O3S and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(1-methylcyclobutyl)propan-2-one.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(1-methylcyclobutyl)propan-2-one
PubChem CID10901549
Molecular FormulaC14H18O3S
Molecular Weight266.36 g/mol
Exact Mass266.10
IUPAC Name1-(benzenesulfonyl)-3-(1-methylcyclobutyl)propan-2-one
SMILESCC1(CC(=O)CS(=O)(=O)c2ccccc2)CCC1
InChIInChI=1S/C14H18O3S/c1-14(8-5-9-14)10-12(15)11-18(16,17)13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3
InChIKeyYGENCSRMNRGYHP-UHFFFAOYSA-N
XLogP2.61
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(1-methylcyclobutyl)propan-2-one?
The IUPAC name of 1-(benzenesulfonyl)-3-(1-methylcyclobutyl)propan-2-one (CID 10901549) is 1-(benzenesulfonyl)-3-(1-methylcyclobutyl)propan-2-one.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(1-methylcyclobutyl)propan-2-one?
The canonical SMILES for 1-(benzenesulfonyl)-3-(1-methylcyclobutyl)propan-2-one is CC1(CC(=O)CS(=O)(=O)c2ccccc2)CCC1.
What is the InChIKey of 1-(benzenesulfonyl)-3-(1-methylcyclobutyl)propan-2-one?
The InChIKey is YGENCSRMNRGYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3S/c1-14(8-5-9-14)10-12(15)11-18(16,17)13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-3-(1-methylcyclobutyl)propan-2-one?
1-(benzenesulfonyl)-3-(1-methylcyclobutyl)propan-2-one has a molecular weight of 266.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(1-methylcyclobutyl)propan-2-one is sourced from PubChem (CID 10901549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).