3-methoxypyrrolidine-1-sulfonyl chloride

C5H10ClNO3S — CID 103532002

IUPAC3-methoxypyrrolidine-1-sulfonyl chloride
SMILESCOC1CCN(S(=O)(=O)Cl)C1
InChIInChI=1S/C5H10ClNO3S/c1-10-5-2-3-7(4-5)11(6,8)9/h5H,2-4H2,1H3
InChIKeyLVOOVYHOTSRSPV-UHFFFAOYSA-N
MW199.66 g/mol
LogP0.19
Rot. Bonds2

About 3-methoxypyrrolidine-1-sulfonyl chloride

3-methoxypyrrolidine-1-sulfonyl chloride (PubChem CID 103532002) has the molecular formula C5H10ClNO3S and a molecular weight of 199.66 g/mol. Its IUPAC name is 3-methoxypyrrolidine-1-sulfonyl chloride.

Molecular Properties

Compound Name3-methoxypyrrolidine-1-sulfonyl chloride
PubChem CID103532002
Molecular FormulaC5H10ClNO3S
Molecular Weight199.66 g/mol
Exact Mass199.01
IUPAC Name3-methoxypyrrolidine-1-sulfonyl chloride
SMILESCOC1CCN(S(=O)(=O)Cl)C1
InChIInChI=1S/C5H10ClNO3S/c1-10-5-2-3-7(4-5)11(6,8)9/h5H,2-4H2,1H3
InChIKeyLVOOVYHOTSRSPV-UHFFFAOYSA-N
XLogP0.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trans-3,4-Dimethoxypyrrolidine-1-sulfonyl chloride
CID 165587089
Rel-(3R,4S)-3-fluoro-4-methoxypyrrolidine-1-sulfonyl chloride
CID 165149901
(R)-3-(Difluoromethoxy)pyrrolidine-1-sulfonyl chloride
CID 165149945
3-Fluoro-4-methoxypyrrolidine-1-sulfonamide
CID 167526416
3-(Difluoromethoxy)pyrrolidine-1-sulfonyl chloride
CID 175428884
C5H7ClF3NO3S
CID 117588063
(3S)-3-(difluoromethoxy)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 121537739
3-Methoxypyrrolidine-1-sulfonyl fluoride
CID 135564416
Rel-(3R,4R)-3-fluoro-4-methoxypyrrolidine-1-sulfonyl chloride
CID 172908008
CID 57429991
CID 57429991
3-Methoxy-1-methylsulfonylpyrrolidine
CID 59625923
3,5-Dimethyloxathiazolidine 2,2-dioxide
CID 59882540

Frequently Asked Questions

What is the IUPAC name of 3-methoxypyrrolidine-1-sulfonyl chloride?
The IUPAC name of 3-methoxypyrrolidine-1-sulfonyl chloride (CID 103532002) is 3-methoxypyrrolidine-1-sulfonyl chloride.
What is the SMILES notation for 3-methoxypyrrolidine-1-sulfonyl chloride?
The canonical SMILES for 3-methoxypyrrolidine-1-sulfonyl chloride is COC1CCN(S(=O)(=O)Cl)C1.
What is the InChIKey of 3-methoxypyrrolidine-1-sulfonyl chloride?
The InChIKey is LVOOVYHOTSRSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO3S/c1-10-5-2-3-7(4-5)11(6,8)9/h5H,2-4H2,1H3.
What are the key properties of 3-methoxypyrrolidine-1-sulfonyl chloride?
3-methoxypyrrolidine-1-sulfonyl chloride has a molecular weight of 199.66 g/mol, XLogP of 0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypyrrolidine-1-sulfonyl chloride is sourced from PubChem (CID 103532002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).