(3S,4S)-3-methyloxane-4-sulfonyl chloride

C6H11ClO3S — CID 98084898

IUPAC(3S,4S)-3-methyloxane-4-sulfonyl chloride
SMILESC[C@H]1COCC[C@@H]1S(=O)(=O)Cl
InChIInChI=1S/C6H11ClO3S/c1-5-4-10-3-2-6(5)11(7,8)9/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyBOOLPBBZCGYWEQ-WDSKDSINSA-N
MW198.67 g/mol
LogP0.98
Rot. Bonds1

About (3S,4S)-3-methyloxane-4-sulfonyl chloride

(3S,4S)-3-methyloxane-4-sulfonyl chloride (PubChem CID 98084898) has the molecular formula C6H11ClO3S and a molecular weight of 198.67 g/mol. Its IUPAC name is (3S,4S)-3-methyloxane-4-sulfonyl chloride.

Molecular Properties

Compound Name(3S,4S)-3-methyloxane-4-sulfonyl chloride
PubChem CID98084898
Molecular FormulaC6H11ClO3S
Molecular Weight198.67 g/mol
Exact Mass198.01
IUPAC Name(3S,4S)-3-methyloxane-4-sulfonyl chloride
SMILESC[C@H]1COCC[C@@H]1S(=O)(=O)Cl
InChIInChI=1S/C6H11ClO3S/c1-5-4-10-3-2-6(5)11(7,8)9/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyBOOLPBBZCGYWEQ-WDSKDSINSA-N
XLogP0.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.67
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-3-methyloxane-4-sulfonamide
CID 97177290
(3S,4R)-N,3-dimethyloxane-4-sulfonamide
CID 97167965
(3S,4R)-N,N,3-trimethyloxane-4-sulfonamide
CID 97177278
(3S,4R)-N-cyclopropyl-3-methyloxane-4-sulfonamide
CID 97177286
(2R,3S)-2-methyloxolane-3-sulfonyl chloride
CID 98113530
(3S,4R)-3-[(4-chlorophenyl)methyl]oxane-4-sulfonyl chloride
CID 98087195
(3S,4R)-3-[(4-fluorophenyl)methyl]oxane-4-sulfonyl chloride
CID 98088993
N,4-dimethyloxolane-3-sulfonamide
CID 165442955
2,3-dimethylcyclohexane-1-sulfonyl chloride
CID 64755034
9,10-dimethyl-1,4,7-trioxacycloundecane
CID 20818181
3-methyl-1-(3-methyloxan-4-yl)but-3-en-1-one
CID 130491993
3-(2-methyloxolan-3-yl)sulfonyloxan-4-amine
CID 107758120

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-methyloxane-4-sulfonyl chloride?
The IUPAC name of (3S,4S)-3-methyloxane-4-sulfonyl chloride (CID 98084898) is (3S,4S)-3-methyloxane-4-sulfonyl chloride.
What is the SMILES notation for (3S,4S)-3-methyloxane-4-sulfonyl chloride?
The canonical SMILES for (3S,4S)-3-methyloxane-4-sulfonyl chloride is C[C@H]1COCC[C@@H]1S(=O)(=O)Cl.
What is the InChIKey of (3S,4S)-3-methyloxane-4-sulfonyl chloride?
The InChIKey is BOOLPBBZCGYWEQ-WDSKDSINSA-N. The full InChI is InChI=1S/C6H11ClO3S/c1-5-4-10-3-2-6(5)11(7,8)9/h5-6H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of (3S,4S)-3-methyloxane-4-sulfonyl chloride?
(3S,4S)-3-methyloxane-4-sulfonyl chloride has a molecular weight of 198.67 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-methyloxane-4-sulfonyl chloride is sourced from PubChem (CID 98084898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).