3-(oxolan-3-yl)propane-1-sulfonyl chloride

C7H13ClO3S — CID 122163366

IUPAC3-(oxolan-3-yl)propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCC1CCOC1
InChIInChI=1S/C7H13ClO3S/c8-12(9,10)5-1-2-7-3-4-11-6-7/h7H,1-6H2
InChIKeyDXMARWMNQCLLNK-UHFFFAOYSA-N
MW212.70 g/mol
LogP1.37
Rot. Bonds4

About 3-(oxolan-3-yl)propane-1-sulfonyl chloride

3-(oxolan-3-yl)propane-1-sulfonyl chloride (PubChem CID 122163366) has the molecular formula C7H13ClO3S and a molecular weight of 212.70 g/mol. Its IUPAC name is 3-(oxolan-3-yl)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(oxolan-3-yl)propane-1-sulfonyl chloride
PubChem CID122163366
Molecular FormulaC7H13ClO3S
Molecular Weight212.70 g/mol
Exact Mass212.03
IUPAC Name3-(oxolan-3-yl)propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCC1CCOC1
InChIInChI=1S/C7H13ClO3S/c8-12(9,10)5-1-2-7-3-4-11-6-7/h7H,1-6H2
InChIKeyDXMARWMNQCLLNK-UHFFFAOYSA-N
XLogP1.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.70
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Cyclopentylmethoxy)ethane-1-sulfonyl chloride
CID 66324010
3-(Oxan-4-yl)propane-1-sulfonyl chloride
CID 83709845
rac-((2R,3S)-3-methyloxolan-2-yl)methanesulfonyl chloride
CID 112639744
2-(Oxan-3-yl)ethane-1-sulfonyl chloride
CID 130757865
(5,5-Dimethyloxolan-3-yl)methanesulfonyl chloride
CID 131172408
(4-Methyloxolan-2-yl)methanesulfonyl chloride
CID 131627526
2-Fluoro-2-(oxolan-3-yl)ethane-1-sulfonyl chloride
CID 126849343
2-(Cyclopentylmethoxy)ethane-1-sulfonyl fluoride
CID 137949148
3-(Oxolan-3-yl)propane-1-sulfonyl fluoride
CID 165459360
1-(Oxolan-3-yl)propane-1-sulfonyl fluoride
CID 165502126
4-(2-Methylpropyl)oxolane-3-sulfonyl fluoride
CID 165505827
1-(Oxolan-3-yl)propane-2-sulfonyl fluoride
CID 165520751

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)propane-1-sulfonyl chloride?
The IUPAC name of 3-(oxolan-3-yl)propane-1-sulfonyl chloride (CID 122163366) is 3-(oxolan-3-yl)propane-1-sulfonyl chloride.
What is the SMILES notation for 3-(oxolan-3-yl)propane-1-sulfonyl chloride?
The canonical SMILES for 3-(oxolan-3-yl)propane-1-sulfonyl chloride is O=S(=O)(Cl)CCCC1CCOC1.
What is the InChIKey of 3-(oxolan-3-yl)propane-1-sulfonyl chloride?
The InChIKey is DXMARWMNQCLLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO3S/c8-12(9,10)5-1-2-7-3-4-11-6-7/h7H,1-6H2.
What are the key properties of 3-(oxolan-3-yl)propane-1-sulfonyl chloride?
3-(oxolan-3-yl)propane-1-sulfonyl chloride has a molecular weight of 212.70 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)propane-1-sulfonyl chloride is sourced from PubChem (CID 122163366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).