[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfonylformonitrile

C11H19NO2S — CID 15325099

IUPAC[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfonylformonitrile
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1S(=O)(=O)C#N
InChIInChI=1S/C11H19NO2S/c1-8(2)10-5-4-9(3)6-11(10)15(13,14)7-12/h8-11H,4-6H2,1-3H3/t9-,10+,11-/m1/s1
InChIKeyOUIJQHAPEBYSHS-OUAUKWLOSA-N
MW229.34 g/mol
LogP2.34
Rot. Bonds2

About [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfonylformonitrile

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfonylformonitrile (PubChem CID 15325099) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfonylformonitrile.

Molecular Properties

Compound Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfonylformonitrile
PubChem CID15325099
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfonylformonitrile
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1S(=O)(=O)C#N
InChIInChI=1S/C11H19NO2S/c1-8(2)10-5-4-9(3)6-11(10)15(13,14)7-12/h8-11H,4-6H2,1-3H3/t9-,10+,11-/m1/s1
InChIKeyOUIJQHAPEBYSHS-OUAUKWLOSA-N
XLogP2.34
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'sulfonyl_cyanide', 'substructure': 'N/A'}

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Related Compounds

(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonyl chloride
CID 155973554
(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonic acid
CID 14806226
(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
CID 93286230
iodo-dimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-λ4-sulfane
CID 130177362
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
hexakis[(-)-menthyl]distannane
CID 86177037
5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66645461
4-methyl-N-[methyl-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-oxo-λ6-sulfanylidene]benzenesulfonamide
CID 11728401
(5-methyl-2-propan-2-ylcyclohexyl)-piperidin-1-ylmethanone
CID 70597655
(1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane
CID 135011931
dimethyl-bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane
CID 177420575
(1R,2S,4R)-2-isocyanato-4-methyl-1-propan-2-ylcyclohexane
CID 124566817

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfonylformonitrile?
The IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfonylformonitrile (CID 15325099) is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfonylformonitrile.
What is the SMILES notation for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfonylformonitrile?
The canonical SMILES for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfonylformonitrile is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1S(=O)(=O)C#N.
What is the InChIKey of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfonylformonitrile?
The InChIKey is OUIJQHAPEBYSHS-OUAUKWLOSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-8(2)10-5-4-9(3)6-11(10)15(13,14)7-12/h8-11H,4-6H2,1-3H3/t9-,10+,11-/m1/s1.
What are the key properties of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfonylformonitrile?
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfonylformonitrile has a molecular weight of 229.34 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfonylformonitrile is sourced from PubChem (CID 15325099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).