1-cyclopropyl-4-propan-2-ylsulfonylbutan-1-one

C10H18O3S — CID 106727073

IUPAC1-cyclopropyl-4-propan-2-ylsulfonylbutan-1-one
SMILESCC(C)S(=O)(=O)CCCC(=O)C1CC1
InChIInChI=1S/C10H18O3S/c1-8(2)14(12,13)7-3-4-10(11)9-5-6-9/h8-9H,3-7H2,1-2H3
InChIKeyMWMVRJRJXDFINT-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.57
Rot. Bonds6

About 1-cyclopropyl-4-propan-2-ylsulfonylbutan-1-one

1-cyclopropyl-4-propan-2-ylsulfonylbutan-1-one (PubChem CID 106727073) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-cyclopropyl-4-propan-2-ylsulfonylbutan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-4-propan-2-ylsulfonylbutan-1-one
PubChem CID106727073
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name1-cyclopropyl-4-propan-2-ylsulfonylbutan-1-one
SMILESCC(C)S(=O)(=O)CCCC(=O)C1CC1
InChIInChI=1S/C10H18O3S/c1-8(2)14(12,13)7-3-4-10(11)9-5-6-9/h8-9H,3-7H2,1-2H3
InChIKeyMWMVRJRJXDFINT-UHFFFAOYSA-N
XLogP1.57
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-5-methylsulfonylpentan-1-one
CID 63351407
4-tert-butylsulfonyl-1-cyclopropylbutan-1-one
CID 106727074
1-(4-methylcyclohexyl)-4-methylsulfonylbutan-1-one
CID 63192568
1-(4,4-difluorocyclohexyl)-4-methylsulfonylbutan-1-one
CID 105084255
5-morpholin-4-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentan-1-one
CID 58144963
1-(4-butanoylcyclohexyl)butan-1-one
CID 21294983
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-methylsulfonylbutan-1-one
CID 112680687
1-cyclopropyl-4-hydroxypentan-1-one
CID 15726184
1-cyclopropyl-4-fluorobutan-1-one
CID 80696866
7-cyclopropyl-7-oxoheptanoic acid
CID 24726981
1-(4-methylcyclohexyl)pentan-1-one
CID 62621945
1-cyclopentyl-7-methyloctan-1-one
CID 155793674

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-propan-2-ylsulfonylbutan-1-one?
The IUPAC name of 1-cyclopropyl-4-propan-2-ylsulfonylbutan-1-one (CID 106727073) is 1-cyclopropyl-4-propan-2-ylsulfonylbutan-1-one.
What is the SMILES notation for 1-cyclopropyl-4-propan-2-ylsulfonylbutan-1-one?
The canonical SMILES for 1-cyclopropyl-4-propan-2-ylsulfonylbutan-1-one is CC(C)S(=O)(=O)CCCC(=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-4-propan-2-ylsulfonylbutan-1-one?
The InChIKey is MWMVRJRJXDFINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-8(2)14(12,13)7-3-4-10(11)9-5-6-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-propan-2-ylsulfonylbutan-1-one?
1-cyclopropyl-4-propan-2-ylsulfonylbutan-1-one has a molecular weight of 218.32 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-propan-2-ylsulfonylbutan-1-one is sourced from PubChem (CID 106727073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).