2-propylsulfonylcyclohexane-1-carbonitrile

C10H17NO2S — CID 64689764

IUPAC2-propylsulfonylcyclohexane-1-carbonitrile
SMILESCCCS(=O)(=O)C1CCCCC1C#N
InChIInChI=1S/C10H17NO2S/c1-2-7-14(12,13)10-6-4-3-5-9(10)8-11/h9-10H,2-7H2,1H3
InChIKeyAMHJYYCFTAPOEF-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.89
Rot. Bonds3

About 2-propylsulfonylcyclohexane-1-carbonitrile

2-propylsulfonylcyclohexane-1-carbonitrile (PubChem CID 64689764) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-propylsulfonylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-propylsulfonylcyclohexane-1-carbonitrile
PubChem CID64689764
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name2-propylsulfonylcyclohexane-1-carbonitrile
SMILESCCCS(=O)(=O)C1CCCCC1C#N
InChIInChI=1S/C10H17NO2S/c1-2-7-14(12,13)10-6-4-3-5-9(10)8-11/h9-10H,2-7H2,1H3
InChIKeyAMHJYYCFTAPOEF-UHFFFAOYSA-N
XLogP1.89
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropylsulfonyl)cyclohexane-1-carbonitrile
CID 64690164
2-propylsulfonylcyclohexan-1-amine
CID 64645702
(2-propylsulfonylcyclohexyl)methanamine
CID 64698833
2-ethylsulfonylcyclopropane-1-carbonitrile
CID 102568340
2-cyclohexylsulfonylcyclohexane-1-carbonitrile
CID 64690197
2-propylsulfonylcyclopentan-1-amine
CID 64646493
N-methyl-2-propylsulfonylcyclooctan-1-amine
CID 64644517
tert-butyl 2-(2-cyanocyclopentyl)sulfonylacetate
CID 116688154
N-propyl-2-propylsulfonylcyclooctan-1-amine
CID 64644715
2-(benzenesulfonyl)cyclohexane-1-carbonitrile
CID 64690352
trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile
CID 12656927
2-(4-methoxyphenyl)sulfonylcyclohexane-1-carbonitrile
CID 64691796

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfonylcyclohexane-1-carbonitrile?
The IUPAC name of 2-propylsulfonylcyclohexane-1-carbonitrile (CID 64689764) is 2-propylsulfonylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-propylsulfonylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-propylsulfonylcyclohexane-1-carbonitrile is CCCS(=O)(=O)C1CCCCC1C#N.
What is the InChIKey of 2-propylsulfonylcyclohexane-1-carbonitrile?
The InChIKey is AMHJYYCFTAPOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-2-7-14(12,13)10-6-4-3-5-9(10)8-11/h9-10H,2-7H2,1H3.
What are the key properties of 2-propylsulfonylcyclohexane-1-carbonitrile?
2-propylsulfonylcyclohexane-1-carbonitrile has a molecular weight of 215.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfonylcyclohexane-1-carbonitrile is sourced from PubChem (CID 64689764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).