2-[(3-methylcyclohexyl)oxymethyl]pentane-1-sulfonyl chloride

C13H25ClO3S — CID 65013157

IUPAC2-[(3-methylcyclohexyl)oxymethyl]pentane-1-sulfonyl chloride
SMILESCCCC(COC1CCCC(C)C1)CS(=O)(=O)Cl
InChIInChI=1S/C13H25ClO3S/c1-3-5-12(10-18(14,15)16)9-17-13-7-4-6-11(2)8-13/h11-13H,3-10H2,1-2H3
InChIKeyICPBNYAGXBASRE-UHFFFAOYSA-N
MW296.86 g/mol
LogP3.57
Rot. Bonds7

About 2-[(3-methylcyclohexyl)oxymethyl]pentane-1-sulfonyl chloride

2-[(3-methylcyclohexyl)oxymethyl]pentane-1-sulfonyl chloride (PubChem CID 65013157) has the molecular formula C13H25ClO3S and a molecular weight of 296.86 g/mol. Its IUPAC name is 2-[(3-methylcyclohexyl)oxymethyl]pentane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-[(3-methylcyclohexyl)oxymethyl]pentane-1-sulfonyl chloride
PubChem CID65013157
Molecular FormulaC13H25ClO3S
Molecular Weight296.86 g/mol
Exact Mass296.12
IUPAC Name2-[(3-methylcyclohexyl)oxymethyl]pentane-1-sulfonyl chloride
SMILESCCCC(COC1CCCC(C)C1)CS(=O)(=O)Cl
InChIInChI=1S/C13H25ClO3S/c1-3-5-12(10-18(14,15)16)9-17-13-7-4-6-11(2)8-13/h11-13H,3-10H2,1-2H3
InChIKeyICPBNYAGXBASRE-UHFFFAOYSA-N
XLogP3.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.86
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-dimethylcyclohexyl)oxymethyl]pentane-1-sulfonyl chloride
CID 65012862
2-(oxan-4-yloxymethyl)pentane-1-sulfonyl chloride
CID 65012606
2-(2-cyclopropylethoxymethyl)pentane-1-sulfonyl chloride
CID 106206659
2-(oxan-4-yloxymethyl)butane-1-sulfonyl chloride
CID 64999420
2-(3-methylbutoxymethyl)pentane-1-sulfonyl chloride
CID 65012653
(3-methylcyclohexyl) 2-aminopentanoate
CID 61302315
1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol
CID 60634369
3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane
CID 143832011
3-(3-methylcyclohexyl)oxy-2-phenylpropane-1-sulfonamide
CID 65014994
3-amino-4-(3-methylcyclohexyl)oxybutan-1-ol
CID 64900085
1-methoxy-3-(3-methylcyclohexyl)oxy-N-propylpropan-2-amine
CID 107506735
methyl 2-bromo-3-(3-methylcyclohexyl)oxypropanoate
CID 81092090

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclohexyl)oxymethyl]pentane-1-sulfonyl chloride?
The IUPAC name of 2-[(3-methylcyclohexyl)oxymethyl]pentane-1-sulfonyl chloride (CID 65013157) is 2-[(3-methylcyclohexyl)oxymethyl]pentane-1-sulfonyl chloride.
What is the SMILES notation for 2-[(3-methylcyclohexyl)oxymethyl]pentane-1-sulfonyl chloride?
The canonical SMILES for 2-[(3-methylcyclohexyl)oxymethyl]pentane-1-sulfonyl chloride is CCCC(COC1CCCC(C)C1)CS(=O)(=O)Cl.
What is the InChIKey of 2-[(3-methylcyclohexyl)oxymethyl]pentane-1-sulfonyl chloride?
The InChIKey is ICPBNYAGXBASRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClO3S/c1-3-5-12(10-18(14,15)16)9-17-13-7-4-6-11(2)8-13/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-[(3-methylcyclohexyl)oxymethyl]pentane-1-sulfonyl chloride?
2-[(3-methylcyclohexyl)oxymethyl]pentane-1-sulfonyl chloride has a molecular weight of 296.86 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclohexyl)oxymethyl]pentane-1-sulfonyl chloride is sourced from PubChem (CID 65013157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).