(3R)-3-ethylpyrrolidine-1-sulfonyl chloride

C6H12ClNO2S — CID 165150021

IUPAC(3R)-3-ethylpyrrolidine-1-sulfonyl chloride
SMILESCC[C@@H]1CCN(S(=O)(=O)Cl)C1
InChIInChI=1S/C6H12ClNO2S/c1-2-6-3-4-8(5-6)11(7,9)10/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeySZVYJCUZSGIWMJ-ZCFIWIBFSA-N
MW197.69 g/mol
LogP1.20
Rot. Bonds2

About (3R)-3-ethylpyrrolidine-1-sulfonyl chloride

(3R)-3-ethylpyrrolidine-1-sulfonyl chloride (PubChem CID 165150021) has the molecular formula C6H12ClNO2S and a molecular weight of 197.69 g/mol. Its IUPAC name is (3R)-3-ethylpyrrolidine-1-sulfonyl chloride.

Molecular Properties

Compound Name(3R)-3-ethylpyrrolidine-1-sulfonyl chloride
PubChem CID165150021
Molecular FormulaC6H12ClNO2S
Molecular Weight197.69 g/mol
Exact Mass197.03
IUPAC Name(3R)-3-ethylpyrrolidine-1-sulfonyl chloride
SMILESCC[C@@H]1CCN(S(=O)(=O)Cl)C1
InChIInChI=1S/C6H12ClNO2S/c1-2-6-3-4-8(5-6)11(7,9)10/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeySZVYJCUZSGIWMJ-ZCFIWIBFSA-N
XLogP1.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.69
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methylpyrrolidine-1-sulfonyl chloride
CID 61225769
2,2-Dimethylpyrrolidine-1-sulfonyl chloride
CID 63219374
(3R,4S)-3-fluoro-4-methylpyrrolidine-1-sulfonyl chloride
CID 157345549
3-Propylpyrrolidine-1-sulfonyl chloride
CID 59581698
3-Ethyl-1-methylsulfonylpyrrolidine
CID 68096308
3-Ethyl-1-sulfanylpyrrolidine
CID 89045165
(3S)-3-methylpyrrolidine-1-sulfinate
CID 89076766
3-Ethylpyrrolidine-1-sulfinate
CID 89116493
(3S)-3-ethyl-1-sulfanylpyrrolidine
CID 89170978
3-Propylpyrrolidine-1-sulfinate
CID 89262222
3-Methylpyrrolidine-1-sulfinate
CID 89262358
(3R)-3-ethyl-1-methylsulfonylpyrrolidine
CID 89616593

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethylpyrrolidine-1-sulfonyl chloride?
The IUPAC name of (3R)-3-ethylpyrrolidine-1-sulfonyl chloride (CID 165150021) is (3R)-3-ethylpyrrolidine-1-sulfonyl chloride.
What is the SMILES notation for (3R)-3-ethylpyrrolidine-1-sulfonyl chloride?
The canonical SMILES for (3R)-3-ethylpyrrolidine-1-sulfonyl chloride is CC[C@@H]1CCN(S(=O)(=O)Cl)C1.
What is the InChIKey of (3R)-3-ethylpyrrolidine-1-sulfonyl chloride?
The InChIKey is SZVYJCUZSGIWMJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12ClNO2S/c1-2-6-3-4-8(5-6)11(7,9)10/h6H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (3R)-3-ethylpyrrolidine-1-sulfonyl chloride?
(3R)-3-ethylpyrrolidine-1-sulfonyl chloride has a molecular weight of 197.69 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethylpyrrolidine-1-sulfonyl chloride is sourced from PubChem (CID 165150021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).