cis-(1R,2S)-2-methylsulfonylcyclopropane-1-carbonitrile

C5H7NO2S — CID 99990540

IUPACcis-(1R,2S)-2-methylsulfonylcyclopropane-1-carbonitrile
SMILESCS(=O)(=O)[C@H]1C[C@@H]1C#N
InChIInChI=1S/C5H7NO2S/c1-9(7,8)5-2-4(5)3-6/h4-5H,2H2,1H3/t4-,5+/m1/s1
InChIKeyZMIIPDBEJDEVFS-UHNVWZDZSA-N
MW145.18 g/mol
LogP-0.06
Rot. Bonds1

About cis-(1R,2S)-2-methylsulfonylcyclopropane-1-carbonitrile

cis-(1R,2S)-2-methylsulfonylcyclopropane-1-carbonitrile (PubChem CID 99990540) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is cis-(1R,2S)-2-methylsulfonylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1R,2S)-2-methylsulfonylcyclopropane-1-carbonitrile
PubChem CID99990540
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC Namecis-(1R,2S)-2-methylsulfonylcyclopropane-1-carbonitrile
SMILESCS(=O)(=O)[C@H]1C[C@@H]1C#N
InChIInChI=1S/C5H7NO2S/c1-9(7,8)5-2-4(5)3-6/h4-5H,2H2,1H3/t4-,5+/m1/s1
InChIKeyZMIIPDBEJDEVFS-UHNVWZDZSA-N
XLogP-0.06
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylsulfonylcyclopropane-1-carbonitrile
CID 102568340
cis-(1R,2S)-1-methyl-2-methylsulfonylcyclopropane
CID 89002807
trans-(1S,3S)-3-methylsulfonylcyclopentane-1-carbonitrile
CID 99997434
cis-(1S,2S)-2-methylcyclopropane-1-carbonitrile
CID 58392287
2-propylsulfonylcyclohexane-1-carbonitrile
CID 64689764
(6-methylsulfonyl-2-bicyclo[2.2.1]heptanyl) thiocyanate
CID 137495431
2-methylsulfonylcyclopropane-1-sulfonyl fluoride
CID 139363190
N-methyl-2-methylsulfonylcyclopropan-1-amine
CID 129191618
2-cyclohexylsulfonyl-4-methylcyclohexane-1-carbonitrile
CID 64691026
4-tert-butyl-2-propan-2-ylsulfonylcyclohexane-1-carbonitrile
CID 64691840
2,3-dimethylcyclobutane-1-carbonitrile
CID 123673485
2-(2-methylpropylsulfonyl)cyclohexane-1-carbonitrile
CID 64690164

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-methylsulfonylcyclopropane-1-carbonitrile?
The IUPAC name of cis-(1R,2S)-2-methylsulfonylcyclopropane-1-carbonitrile (CID 99990540) is cis-(1R,2S)-2-methylsulfonylcyclopropane-1-carbonitrile.
What is the SMILES notation for cis-(1R,2S)-2-methylsulfonylcyclopropane-1-carbonitrile?
The canonical SMILES for cis-(1R,2S)-2-methylsulfonylcyclopropane-1-carbonitrile is CS(=O)(=O)[C@H]1C[C@@H]1C#N.
What is the InChIKey of cis-(1R,2S)-2-methylsulfonylcyclopropane-1-carbonitrile?
The InChIKey is ZMIIPDBEJDEVFS-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H7NO2S/c1-9(7,8)5-2-4(5)3-6/h4-5H,2H2,1H3/t4-,5+/m1/s1.
What are the key properties of cis-(1R,2S)-2-methylsulfonylcyclopropane-1-carbonitrile?
cis-(1R,2S)-2-methylsulfonylcyclopropane-1-carbonitrile has a molecular weight of 145.18 g/mol, XLogP of -0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-methylsulfonylcyclopropane-1-carbonitrile is sourced from PubChem (CID 99990540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).