propylsulfonylmethylcyclopropane

C7H14O2S — CID 20644601

IUPACpropylsulfonylmethylcyclopropane
SMILESCCCS(=O)(=O)CC1CC1
InChIInChI=1S/C7H14O2S/c1-2-5-10(8,9)6-7-3-4-7/h7H,2-6H2,1H3
InChIKeyZWHCVYBPKGEPQT-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.22
Rot. Bonds4

About propylsulfonylmethylcyclopropane

propylsulfonylmethylcyclopropane (PubChem CID 20644601) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is propylsulfonylmethylcyclopropane.

Molecular Properties

Compound Namepropylsulfonylmethylcyclopropane
PubChem CID20644601
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Namepropylsulfonylmethylcyclopropane
SMILESCCCS(=O)(=O)CC1CC1
InChIInChI=1S/C7H14O2S/c1-2-5-10(8,9)6-7-3-4-7/h7H,2-6H2,1H3
InChIKeyZWHCVYBPKGEPQT-UHFFFAOYSA-N
XLogP1.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(hexylsulfonylmethyl)cyclohexan-1-amine
CID 164606874
4,4-dimethylpentylsulfonylmethylcyclopropane
CID 159579445
1-propylsulfonylpropane
CID 11709
4-(heptylsulfonylmethyl)piperidine
CID 82182021
2-cyclopropyl-N-(2-propylsulfonylethyl)ethanamine
CID 106723908
cyclopropylmethylsulfonylmethylphosphane
CID 141326904
1-bromo-3-(2-propylsulfonylethyl)cyclopentane
CID 106732521
1-chloro-4-ethyl-2-(2-propylsulfonylethyl)cyclohexane
CID 106729101
2-chloroethylsulfonylmethylcyclopentane
CID 63118869
2-(cyclopropylmethylsulfonyl)acetaldehyde
CID 155192752
4-ethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 60920149
2-propan-2-ylsulfonylethylsulfonylmethylcyclohexane
CID 71977091

Frequently Asked Questions

What is the IUPAC name of propylsulfonylmethylcyclopropane?
The IUPAC name of propylsulfonylmethylcyclopropane (CID 20644601) is propylsulfonylmethylcyclopropane.
What is the SMILES notation for propylsulfonylmethylcyclopropane?
The canonical SMILES for propylsulfonylmethylcyclopropane is CCCS(=O)(=O)CC1CC1.
What is the InChIKey of propylsulfonylmethylcyclopropane?
The InChIKey is ZWHCVYBPKGEPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-2-5-10(8,9)6-7-3-4-7/h7H,2-6H2,1H3.
What are the key properties of propylsulfonylmethylcyclopropane?
propylsulfonylmethylcyclopropane has a molecular weight of 162.25 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propylsulfonylmethylcyclopropane is sourced from PubChem (CID 20644601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).