2,3-dimethylcyclohexane-1-sulfonyl chloride

C8H15ClO2S — CID 64755034

IUPAC2,3-dimethylcyclohexane-1-sulfonyl chloride
SMILESCC1CCCC(S(=O)(=O)Cl)C1C
InChIInChI=1S/C8H15ClO2S/c1-6-4-3-5-8(7(6)2)12(9,10)11/h6-8H,3-5H2,1-2H3
InChIKeyPYBCZNMLRBRLMA-UHFFFAOYSA-N
MW210.73 g/mol
LogP2.38
Rot. Bonds1

About 2,3-dimethylcyclohexane-1-sulfonyl chloride

2,3-dimethylcyclohexane-1-sulfonyl chloride (PubChem CID 64755034) has the molecular formula C8H15ClO2S and a molecular weight of 210.73 g/mol. Its IUPAC name is 2,3-dimethylcyclohexane-1-sulfonyl chloride.

Molecular Properties

Compound Name2,3-dimethylcyclohexane-1-sulfonyl chloride
PubChem CID64755034
Molecular FormulaC8H15ClO2S
Molecular Weight210.73 g/mol
Exact Mass210.05
IUPAC Name2,3-dimethylcyclohexane-1-sulfonyl chloride
SMILESCC1CCCC(S(=O)(=O)Cl)C1C
InChIInChI=1S/C8H15ClO2S/c1-6-4-3-5-8(7(6)2)12(9,10)11/h6-8H,3-5H2,1-2H3
InChIKeyPYBCZNMLRBRLMA-UHFFFAOYSA-N
XLogP2.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.73
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis(cis-(1R,3S)-1,2,3-trimethylcyclohexane);ethane;trans-(1R,3R)-1,2,3-trimethylcyclohexane;trans-(1S,3S)-1,2,3-trimethylcyclohexane
CID 159423261
cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane
CID 142244795
ethyl-imino-(2-methylcyclopentyl)-oxo-λ6-sulfane
CID 165438507
1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710836
2-ethylcyclohexane-1-sulfonyl chloride
CID 63863375
(2-methylcyclopentyl)methanesulfonyl chloride
CID 84667340
2-methylcyclohexane-1-sulfonamide
CID 21267710
cis-(1S,2R)-2-hydroxycyclohexane-1-sulfonyl chloride
CID 98123735
methyl 2-chlorosulfonylcyclopentane-1-carboxylate
CID 83853182
trans-methyl (1R,2S)-2-chlorosulfonylcyclopentane-1-carboxylate
CID 98115809
1,2,3-trimethylcycloheptane
CID 54005509
(3S,4S)-3-methyloxane-4-sulfonyl chloride
CID 98084898

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylcyclohexane-1-sulfonyl chloride?
The IUPAC name of 2,3-dimethylcyclohexane-1-sulfonyl chloride (CID 64755034) is 2,3-dimethylcyclohexane-1-sulfonyl chloride.
What is the SMILES notation for 2,3-dimethylcyclohexane-1-sulfonyl chloride?
The canonical SMILES for 2,3-dimethylcyclohexane-1-sulfonyl chloride is CC1CCCC(S(=O)(=O)Cl)C1C.
What is the InChIKey of 2,3-dimethylcyclohexane-1-sulfonyl chloride?
The InChIKey is PYBCZNMLRBRLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO2S/c1-6-4-3-5-8(7(6)2)12(9,10)11/h6-8H,3-5H2,1-2H3.
What are the key properties of 2,3-dimethylcyclohexane-1-sulfonyl chloride?
2,3-dimethylcyclohexane-1-sulfonyl chloride has a molecular weight of 210.73 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylcyclohexane-1-sulfonyl chloride is sourced from PubChem (CID 64755034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).