(1-cyanocyclobutyl)methanesulfonyl chloride

C6H8ClNO2S — CID 75480697

IUPAC(1-cyanocyclobutyl)methanesulfonyl chloride
SMILESN#CC1(CS(=O)(=O)Cl)CCC1
InChIInChI=1S/C6H8ClNO2S/c7-11(9,10)5-6(4-8)2-1-3-6/h1-3,5H2
InChIKeyKAXFPLHSFGGLFV-UHFFFAOYSA-N
MW193.65 g/mol
LogP1.25
Rot. Bonds2

About (1-cyanocyclobutyl)methanesulfonyl chloride

(1-cyanocyclobutyl)methanesulfonyl chloride (PubChem CID 75480697) has the molecular formula C6H8ClNO2S and a molecular weight of 193.65 g/mol. Its IUPAC name is (1-cyanocyclobutyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(1-cyanocyclobutyl)methanesulfonyl chloride
PubChem CID75480697
Molecular FormulaC6H8ClNO2S
Molecular Weight193.65 g/mol
Exact Mass193.00
IUPAC Name(1-cyanocyclobutyl)methanesulfonyl chloride
SMILESN#CC1(CS(=O)(=O)Cl)CCC1
InChIInChI=1S/C6H8ClNO2S/c7-11(9,10)5-6(4-8)2-1-3-6/h1-3,5H2
InChIKeyKAXFPLHSFGGLFV-UHFFFAOYSA-N
XLogP1.25
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.65
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-cyanocyclobutyl)methanesulfinyl chloride
CID 165452706
(1-cyanocyclopropyl)methanesulfonamide
CID 75450915
1-(trifluoromethylsulfonylmethyl)cyclopropane-1-carbonitrile
CID 130683227
(1-cyanocyclohexyl)methanesulfinyl chloride
CID 165452705
potassium (1-cyanocyclobutyl)methyl-trifluoroboranuide
CID 155821923
tert-butyl 3-(chlorosulfonylmethyl)-3-cyanopyrrolidine-1-carboxylate
CID 139026711
[1-(fluoromethyl)cyclobutyl]methanesulfonyl chloride
CID 84669718
(4-cyanooxan-4-yl)methanesulfonamide
CID 75480673
[1-(difluoromethyl)cyclobutyl]methanesulfonyl chloride
CID 84684212
1-(2,5-dihydropyrrol-1-ylsulfonylmethyl)cyclopropane-1-carbonitrile
CID 175807928
sodium (1-cyanocyclopentyl)methanesulfinate
CID 165454382
1-(2,2,2-trifluoroethyl)cyclobutane-1-carbonitrile
CID 130513647

Frequently Asked Questions

What is the IUPAC name of (1-cyanocyclobutyl)methanesulfonyl chloride?
The IUPAC name of (1-cyanocyclobutyl)methanesulfonyl chloride (CID 75480697) is (1-cyanocyclobutyl)methanesulfonyl chloride.
What is the SMILES notation for (1-cyanocyclobutyl)methanesulfonyl chloride?
The canonical SMILES for (1-cyanocyclobutyl)methanesulfonyl chloride is N#CC1(CS(=O)(=O)Cl)CCC1.
What is the InChIKey of (1-cyanocyclobutyl)methanesulfonyl chloride?
The InChIKey is KAXFPLHSFGGLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO2S/c7-11(9,10)5-6(4-8)2-1-3-6/h1-3,5H2.
What are the key properties of (1-cyanocyclobutyl)methanesulfonyl chloride?
(1-cyanocyclobutyl)methanesulfonyl chloride has a molecular weight of 193.65 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyanocyclobutyl)methanesulfonyl chloride is sourced from PubChem (CID 75480697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).