[1-(cyclopropyloxymethyl)cyclohexyl]methanesulfonyl chloride

C11H19ClO3S — CID 165499057

IUPAC[1-(cyclopropyloxymethyl)cyclohexyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(COC2CC2)CCCCC1
InChIInChI=1S/C11H19ClO3S/c12-16(13,14)9-11(6-2-1-3-7-11)8-15-10-4-5-10/h10H,1-9H2
InChIKeyQUQARHRUTRXQNX-UHFFFAOYSA-N
MW266.79 g/mol
LogP2.68
Rot. Bonds5

About [1-(cyclopropyloxymethyl)cyclohexyl]methanesulfonyl chloride

[1-(cyclopropyloxymethyl)cyclohexyl]methanesulfonyl chloride (PubChem CID 165499057) has the molecular formula C11H19ClO3S and a molecular weight of 266.79 g/mol. Its IUPAC name is [1-(cyclopropyloxymethyl)cyclohexyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(cyclopropyloxymethyl)cyclohexyl]methanesulfonyl chloride
PubChem CID165499057
Molecular FormulaC11H19ClO3S
Molecular Weight266.79 g/mol
Exact Mass266.07
IUPAC Name[1-(cyclopropyloxymethyl)cyclohexyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(COC2CC2)CCCCC1
InChIInChI=1S/C11H19ClO3S/c12-16(13,14)9-11(6-2-1-3-7-11)8-15-10-4-5-10/h10H,1-9H2
InChIKeyQUQARHRUTRXQNX-UHFFFAOYSA-N
XLogP2.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.79
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-methylcyclohexyl)oxymethyl]cycloheptyl]methanesulfonyl chloride
CID 65010236
[1-(cycloheptyloxymethyl)cycloheptyl]methanesulfonamide
CID 65010094
[1-[(4-methylcyclohexyl)oxymethyl]cyclohexyl]methanesulfonamide
CID 65006992
[1-(cyclobutyloxymethyl)cyclopentyl]methanesulfonamide
CID 65003105
[1-(methoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003085
[1-(propan-2-yloxymethyl)cycloheptyl]methanesulfonyl chloride
CID 65010286
[1-(4,4,4-trifluorobutoxymethyl)cyclohexyl]methanesulfonyl chloride
CID 82793786
[1-(3-methylbutoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003183
[1-(3,3,3-trifluoropropoxymethyl)cyclohexyl]methanesulfonyl chloride
CID 82959382
[1-(bromomethyl)cyclopentyl]methoxycycloheptane
CID 65001141
1-(bromomethyl)-1-[(4-methylcyclohexyl)oxymethyl]cycloheptane
CID 65010154
[4-[(2-ethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonyl chloride
CID 65004168

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropyloxymethyl)cyclohexyl]methanesulfonyl chloride?
The IUPAC name of [1-(cyclopropyloxymethyl)cyclohexyl]methanesulfonyl chloride (CID 165499057) is [1-(cyclopropyloxymethyl)cyclohexyl]methanesulfonyl chloride.
What is the SMILES notation for [1-(cyclopropyloxymethyl)cyclohexyl]methanesulfonyl chloride?
The canonical SMILES for [1-(cyclopropyloxymethyl)cyclohexyl]methanesulfonyl chloride is O=S(=O)(Cl)CC1(COC2CC2)CCCCC1.
What is the InChIKey of [1-(cyclopropyloxymethyl)cyclohexyl]methanesulfonyl chloride?
The InChIKey is QUQARHRUTRXQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClO3S/c12-16(13,14)9-11(6-2-1-3-7-11)8-15-10-4-5-10/h10H,1-9H2.
What are the key properties of [1-(cyclopropyloxymethyl)cyclohexyl]methanesulfonyl chloride?
[1-(cyclopropyloxymethyl)cyclohexyl]methanesulfonyl chloride has a molecular weight of 266.79 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropyloxymethyl)cyclohexyl]methanesulfonyl chloride is sourced from PubChem (CID 165499057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).