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

C5H8N2O2S — CID 99998328

IUPACcis-(1R,2R)-1-amino-2-methylsulfonylcyclopropane-1-carbonitrile
SMILESCS(=O)(=O)[C@@H]1C[C@@]1(N)C#N
InChIInChI=1S/C5H8N2O2S/c1-10(8,9)4-2-5(4,7)3-6/h4H,2,7H2,1H3/t4-,5-/m1/s1
InChIKeyOEHOCUGZYIXIRG-RFZPGFLSSA-N
MW160.20 g/mol
LogP-0.98
Rot. Bonds1

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

cis-(1R,2R)-1-amino-2-methylsulfonylcyclopropane-1-carbonitrile (PubChem CID 99998328) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is cis-(1R,2R)-1-amino-2-methylsulfonylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1R,2R)-1-amino-2-methylsulfonylcyclopropane-1-carbonitrile
PubChem CID99998328
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Namecis-(1R,2R)-1-amino-2-methylsulfonylcyclopropane-1-carbonitrile
SMILESCS(=O)(=O)[C@@H]1C[C@@]1(N)C#N
InChIInChI=1S/C5H8N2O2S/c1-10(8,9)4-2-5(4,7)3-6/h4H,2,7H2,1H3/t4-,5-/m1/s1
InChIKeyOEHOCUGZYIXIRG-RFZPGFLSSA-N
XLogP-0.98
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-1-amino-2-methylsulfonylcyclopropane-1-carbonitrile?
The IUPAC name of cis-(1R,2R)-1-amino-2-methylsulfonylcyclopropane-1-carbonitrile (CID 99998328) is cis-(1R,2R)-1-amino-2-methylsulfonylcyclopropane-1-carbonitrile.
What is the SMILES notation for cis-(1R,2R)-1-amino-2-methylsulfonylcyclopropane-1-carbonitrile?
The canonical SMILES for cis-(1R,2R)-1-amino-2-methylsulfonylcyclopropane-1-carbonitrile is CS(=O)(=O)[C@@H]1C[C@@]1(N)C#N.
What is the InChIKey of cis-(1R,2R)-1-amino-2-methylsulfonylcyclopropane-1-carbonitrile?
The InChIKey is OEHOCUGZYIXIRG-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H8N2O2S/c1-10(8,9)4-2-5(4,7)3-6/h4H,2,7H2,1H3/t4-,5-/m1/s1.
What are the key properties of cis-(1R,2R)-1-amino-2-methylsulfonylcyclopropane-1-carbonitrile?
cis-(1R,2R)-1-amino-2-methylsulfonylcyclopropane-1-carbonitrile has a molecular weight of 160.20 g/mol, XLogP of -0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-amino-2-methylsulfonylcyclopropane-1-carbonitrile is sourced from PubChem (CID 99998328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).