2-methylpropylsulfonylmethylcyclopropane

C8H16O2S — CID 21018608

IUPAC2-methylpropylsulfonylmethylcyclopropane
SMILESCC(C)CS(=O)(=O)CC1CC1
InChIInChI=1S/C8H16O2S/c1-7(2)5-11(9,10)6-8-3-4-8/h7-8H,3-6H2,1-2H3
InChIKeyDNVMKIQZWXGVEF-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.47
Rot. Bonds4

About 2-methylpropylsulfonylmethylcyclopropane

2-methylpropylsulfonylmethylcyclopropane (PubChem CID 21018608) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is 2-methylpropylsulfonylmethylcyclopropane.

Molecular Properties

Compound Name2-methylpropylsulfonylmethylcyclopropane
PubChem CID21018608
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name2-methylpropylsulfonylmethylcyclopropane
SMILESCC(C)CS(=O)(=O)CC1CC1
InChIInChI=1S/C8H16O2S/c1-7(2)5-11(9,10)6-8-3-4-8/h7-8H,3-6H2,1-2H3
InChIKeyDNVMKIQZWXGVEF-UHFFFAOYSA-N
XLogP1.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropylsulfonylmethylcyclopropane?
The IUPAC name of 2-methylpropylsulfonylmethylcyclopropane (CID 21018608) is 2-methylpropylsulfonylmethylcyclopropane.
What is the SMILES notation for 2-methylpropylsulfonylmethylcyclopropane?
The canonical SMILES for 2-methylpropylsulfonylmethylcyclopropane is CC(C)CS(=O)(=O)CC1CC1.
What is the InChIKey of 2-methylpropylsulfonylmethylcyclopropane?
The InChIKey is DNVMKIQZWXGVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c1-7(2)5-11(9,10)6-8-3-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-methylpropylsulfonylmethylcyclopropane?
2-methylpropylsulfonylmethylcyclopropane has a molecular weight of 176.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropylsulfonylmethylcyclopropane is sourced from PubChem (CID 21018608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).