(2S)-2-cyclohexyl-2-methoxyethanesulfonyl chloride

C9H17ClO3S — CID 125041504

IUPAC(2S)-2-cyclohexyl-2-methoxyethanesulfonyl chloride
SMILESCO[C@H](CS(=O)(=O)Cl)C1CCCCC1
InChIInChI=1S/C9H17ClO3S/c1-13-9(7-14(10,11)12)8-5-3-2-4-6-8/h8-9H,2-7H2,1H3/t9-/m1/s1
InChIKeyUJCJXHZWSNOHNI-SECBINFHSA-N
MW240.75 g/mol
LogP2.15
Rot. Bonds4

About (2S)-2-cyclohexyl-2-methoxyethanesulfonyl chloride

(2S)-2-cyclohexyl-2-methoxyethanesulfonyl chloride (PubChem CID 125041504) has the molecular formula C9H17ClO3S and a molecular weight of 240.75 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-methoxyethanesulfonyl chloride.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-methoxyethanesulfonyl chloride
PubChem CID125041504
Molecular FormulaC9H17ClO3S
Molecular Weight240.75 g/mol
Exact Mass240.06
IUPAC Name(2S)-2-cyclohexyl-2-methoxyethanesulfonyl chloride
SMILESCO[C@H](CS(=O)(=O)Cl)C1CCCCC1
InChIInChI=1S/C9H17ClO3S/c1-13-9(7-14(10,11)12)8-5-3-2-4-6-8/h8-9H,2-7H2,1H3/t9-/m1/s1
InChIKeyUJCJXHZWSNOHNI-SECBINFHSA-N
XLogP2.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.75
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 105451878
(2-bromo-1-methoxyethyl)cyclopentane
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[(1R,3R)-1,3-dicyclohexyl-3-methylsulfonyloxypropyl] methanesulfonate
CID 10786947
2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl chloride
CID 115044508
1-methoxyethylcyclooctane
CID 58445596
chloro(cyclohexyl)methanesulfonyl chloride
CID 105488887
3,3,3-trifluoro-2-methoxypropane-1-sulfonyl chloride
CID 105484134
2-methoxy-2-(oxolan-3-yl)ethanesulfonyl fluoride
CID 165459370
S-(2-cyclobutyl-2-methoxyethyl)thiohydroxylamine
CID 145191458
2-methoxy-3-methylbutane-1-sulfonyl chloride
CID 105453266
1-(dimethoxymethoxy)nonylcyclohexane
CID 151905093
1-(2-cyclohexyl-2-methoxyethyl)cyclohexene
CID 102578705

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-methoxyethanesulfonyl chloride?
The IUPAC name of (2S)-2-cyclohexyl-2-methoxyethanesulfonyl chloride (CID 125041504) is (2S)-2-cyclohexyl-2-methoxyethanesulfonyl chloride.
What is the SMILES notation for (2S)-2-cyclohexyl-2-methoxyethanesulfonyl chloride?
The canonical SMILES for (2S)-2-cyclohexyl-2-methoxyethanesulfonyl chloride is CO[C@H](CS(=O)(=O)Cl)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-methoxyethanesulfonyl chloride?
The InChIKey is UJCJXHZWSNOHNI-SECBINFHSA-N. The full InChI is InChI=1S/C9H17ClO3S/c1-13-9(7-14(10,11)12)8-5-3-2-4-6-8/h8-9H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-cyclohexyl-2-methoxyethanesulfonyl chloride?
(2S)-2-cyclohexyl-2-methoxyethanesulfonyl chloride has a molecular weight of 240.75 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-methoxyethanesulfonyl chloride is sourced from PubChem (CID 125041504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).