(2R)-2-(2-methylsulfonylethyl)bicyclo[3.1.0]hexane

C9H16O2S — CID 130336972

IUPAC(2R)-2-(2-methylsulfonylethyl)bicyclo[3.1.0]hexane
SMILESCS(=O)(=O)CC[C@H]1CCC2CC21
InChIInChI=1S/C9H16O2S/c1-12(10,11)5-4-7-2-3-8-6-9(7)8/h7-9H,2-6H2,1H3/t7-,8?,9?/m1/s1
InChIKeyYEEPKMONSWSABS-AFPNSQJFSA-N
MW188.29 g/mol
LogP1.47
Rot. Bonds3

About (2R)-2-(2-methylsulfonylethyl)bicyclo[3.1.0]hexane

(2R)-2-(2-methylsulfonylethyl)bicyclo[3.1.0]hexane (PubChem CID 130336972) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is (2R)-2-(2-methylsulfonylethyl)bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(2R)-2-(2-methylsulfonylethyl)bicyclo[3.1.0]hexane
PubChem CID130336972
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name(2R)-2-(2-methylsulfonylethyl)bicyclo[3.1.0]hexane
SMILESCS(=O)(=O)CC[C@H]1CCC2CC21
InChIInChI=1S/C9H16O2S/c1-12(10,11)5-4-7-2-3-8-6-9(7)8/h7-9H,2-6H2,1H3/t7-,8?,9?/m1/s1
InChIKeyYEEPKMONSWSABS-AFPNSQJFSA-N
XLogP1.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyclopropylethyl)bicyclo[3.1.0]hexane
CID 154516067
N-methyl-1-[4-methyl-2-(2-methylsulfonylethyl)cyclohexyl]methanamine
CID 81032241
2-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine
CID 62739877
2-(methylsulfanylmethyl)bicyclo[3.1.0]hexane
CID 90842879
3-(2-methylsulfonylethyl)cyclopentan-1-ol
CID 64513199
2-(cyclopropylmethyl)bicyclo[3.1.0]hexane
CID 123541762
1-chloro-3-(2-methylsulfonylethyl)cycloheptane
CID 64507071
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfonylethanamine
CID 63683685
6-(2-methylsulfonylethyl)-1,3-oxazinane-2-thione
CID 162894474
2-methyl-N-[[2-(2-methylsulfonylethyl)cycloheptyl]methyl]propan-2-amine
CID 81025425
2-(2-bicyclo[3.1.0]hexanyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]acetamide
CID 128558161
1-chloro-4-ethyl-2-(3-methylsulfonylpropyl)cyclohexane
CID 63195682

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylsulfonylethyl)bicyclo[3.1.0]hexane?
The IUPAC name of (2R)-2-(2-methylsulfonylethyl)bicyclo[3.1.0]hexane (CID 130336972) is (2R)-2-(2-methylsulfonylethyl)bicyclo[3.1.0]hexane.
What is the SMILES notation for (2R)-2-(2-methylsulfonylethyl)bicyclo[3.1.0]hexane?
The canonical SMILES for (2R)-2-(2-methylsulfonylethyl)bicyclo[3.1.0]hexane is CS(=O)(=O)CC[C@H]1CCC2CC21.
What is the InChIKey of (2R)-2-(2-methylsulfonylethyl)bicyclo[3.1.0]hexane?
The InChIKey is YEEPKMONSWSABS-AFPNSQJFSA-N. The full InChI is InChI=1S/C9H16O2S/c1-12(10,11)5-4-7-2-3-8-6-9(7)8/h7-9H,2-6H2,1H3/t7-,8?,9?/m1/s1.
What are the key properties of (2R)-2-(2-methylsulfonylethyl)bicyclo[3.1.0]hexane?
(2R)-2-(2-methylsulfonylethyl)bicyclo[3.1.0]hexane has a molecular weight of 188.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylsulfonylethyl)bicyclo[3.1.0]hexane is sourced from PubChem (CID 130336972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).