1-(2-cyanocyclohexyl)cyclopropane-1-sulfonyl chloride

C10H14ClNO2S — CID 165496293

IUPAC1-(2-cyanocyclohexyl)cyclopropane-1-sulfonyl chloride
SMILESN#CC1CCCCC1C1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C10H14ClNO2S/c11-15(13,14)10(5-6-10)9-4-2-1-3-8(9)7-12/h8-9H,1-6H2
InChIKeyYOBBOQSVHYHJRI-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.42
Rot. Bonds2

About 1-(2-cyanocyclohexyl)cyclopropane-1-sulfonyl chloride

1-(2-cyanocyclohexyl)cyclopropane-1-sulfonyl chloride (PubChem CID 165496293) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 1-(2-cyanocyclohexyl)cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-cyanocyclohexyl)cyclopropane-1-sulfonyl chloride
PubChem CID165496293
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name1-(2-cyanocyclohexyl)cyclopropane-1-sulfonyl chloride
SMILESN#CC1CCCCC1C1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C10H14ClNO2S/c11-15(13,14)10(5-6-10)9-4-2-1-3-8(9)7-12/h8-9H,1-6H2
InChIKeyYOBBOQSVHYHJRI-UHFFFAOYSA-N
XLogP2.42
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptylcyclopropane-1-sulfonyl chloride
CID 165490522
trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile
CID 12656927
cyclopentane-1,2-dicarbonitrile
CID 19807606
2-cyclohexylsulfonylcyclohexane-1-carbonitrile
CID 64690197
2-propylsulfonylcyclohexane-1-carbonitrile
CID 64689764
2-hydroxycyclohexane-1-carbonitrile
CID 543100
1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide
CID 63666238
2-(2-methylpropylsulfonyl)cyclohexane-1-carbonitrile
CID 64690164
2-(benzenesulfonyl)cyclohexane-1-carbonitrile
CID 64690352
2-(dimethylamino)cycloheptane-1-carbonitrile
CID 43291764
trans-(1S,2R)-2-aminocycloheptane-1-carbonitrile
CID 94580475
trans-(1R,2S)-2-aminocycloheptane-1-carbonitrile
CID 50989539

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanocyclohexyl)cyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-(2-cyanocyclohexyl)cyclopropane-1-sulfonyl chloride (CID 165496293) is 1-(2-cyanocyclohexyl)cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-(2-cyanocyclohexyl)cyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-(2-cyanocyclohexyl)cyclopropane-1-sulfonyl chloride is N#CC1CCCCC1C1(S(=O)(=O)Cl)CC1.
What is the InChIKey of 1-(2-cyanocyclohexyl)cyclopropane-1-sulfonyl chloride?
The InChIKey is YOBBOQSVHYHJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c11-15(13,14)10(5-6-10)9-4-2-1-3-8(9)7-12/h8-9H,1-6H2.
What are the key properties of 1-(2-cyanocyclohexyl)cyclopropane-1-sulfonyl chloride?
1-(2-cyanocyclohexyl)cyclopropane-1-sulfonyl chloride has a molecular weight of 247.75 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanocyclohexyl)cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 165496293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).