(2S)-2-ethyl-4-methoxybutane-1-sulfonyl chloride

C7H15ClO3S — CID 98469102

IUPAC(2S)-2-ethyl-4-methoxybutane-1-sulfonyl chloride
SMILESCC[C@@H](CCOC)CS(=O)(=O)Cl
InChIInChI=1S/C7H15ClO3S/c1-3-7(4-5-11-2)6-12(8,9)10/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyLWIOSBGKSPDGLQ-ZETCQYMHSA-N
MW214.71 g/mol
LogP1.62
Rot. Bonds6

About (2S)-2-ethyl-4-methoxybutane-1-sulfonyl chloride

(2S)-2-ethyl-4-methoxybutane-1-sulfonyl chloride (PubChem CID 98469102) has the molecular formula C7H15ClO3S and a molecular weight of 214.71 g/mol. Its IUPAC name is (2S)-2-ethyl-4-methoxybutane-1-sulfonyl chloride.

Molecular Properties

Compound Name(2S)-2-ethyl-4-methoxybutane-1-sulfonyl chloride
PubChem CID98469102
Molecular FormulaC7H15ClO3S
Molecular Weight214.71 g/mol
Exact Mass214.04
IUPAC Name(2S)-2-ethyl-4-methoxybutane-1-sulfonyl chloride
SMILESCC[C@@H](CCOC)CS(=O)(=O)Cl
InChIInChI=1S/C7H15ClO3S/c1-3-7(4-5-11-2)6-12(8,9)10/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyLWIOSBGKSPDGLQ-ZETCQYMHSA-N
XLogP1.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.71
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(Oxan-4-yl)methanesulfonyl chloride
CID 18348392
3-Methoxy-2-methylpropane-1-sulfonyl chloride
CID 64217829
2-(3-Methylbutoxy)ethane-1-sulfonyl chloride
CID 61483450
5-Methoxy-3-methylpentane-1-sulfonyl chloride
CID 65664720
2-(Oxan-4-yl)ethane-1-sulfonyl chloride
CID 86775610
2-Cyclobutyl-2-methoxyethane-1-sulfonyl chloride
CID 105466435
rac-((2R,3S)-3-methyloxolan-2-yl)methanesulfonyl chloride
CID 112639744
rac-(1R,2R)-1-(methoxymethyl)-2-methylcyclopropane-1-sulfonyl chloride
CID 132398925
rac-((1R,2R)-2-methoxycyclobutyl)methanesulfonyl chloride
CID 155822063
2-(3-Methoxycyclobutyl)ethane-1-sulfonyl chloride
CID 177800401
3-Methyl-5-(2,2,2-trifluoroethoxy)pentane-1-sulfonyl chloride
CID 65664516
5-(2,2-Difluoroethoxy)-3-methylpentane-1-sulfonyl chloride
CID 82010517

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-4-methoxybutane-1-sulfonyl chloride?
The IUPAC name of (2S)-2-ethyl-4-methoxybutane-1-sulfonyl chloride (CID 98469102) is (2S)-2-ethyl-4-methoxybutane-1-sulfonyl chloride.
What is the SMILES notation for (2S)-2-ethyl-4-methoxybutane-1-sulfonyl chloride?
The canonical SMILES for (2S)-2-ethyl-4-methoxybutane-1-sulfonyl chloride is CC[C@@H](CCOC)CS(=O)(=O)Cl.
What is the InChIKey of (2S)-2-ethyl-4-methoxybutane-1-sulfonyl chloride?
The InChIKey is LWIOSBGKSPDGLQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15ClO3S/c1-3-7(4-5-11-2)6-12(8,9)10/h7H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-2-ethyl-4-methoxybutane-1-sulfonyl chloride?
(2S)-2-ethyl-4-methoxybutane-1-sulfonyl chloride has a molecular weight of 214.71 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-4-methoxybutane-1-sulfonyl chloride is sourced from PubChem (CID 98469102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).