1-(1-ethylpyrrolidin-2-yl)ethenesulfonyl chloride

C8H14ClNO2S — CID 117266540

IUPAC1-(1-ethylpyrrolidin-2-yl)ethenesulfonyl chloride
SMILESC=C(C1CCCN1CC)S(=O)(=O)Cl
InChIInChI=1S/C8H14ClNO2S/c1-3-10-6-4-5-8(10)7(2)13(9,11)12/h8H,2-6H2,1H3
InChIKeyKITDQYZYOGAGFA-UHFFFAOYSA-N
MW223.72 g/mol
LogP1.55
Rot. Bonds3

About 1-(1-ethylpyrrolidin-2-yl)ethenesulfonyl chloride

1-(1-ethylpyrrolidin-2-yl)ethenesulfonyl chloride (PubChem CID 117266540) has the molecular formula C8H14ClNO2S and a molecular weight of 223.72 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-2-yl)ethenesulfonyl chloride.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-2-yl)ethenesulfonyl chloride
PubChem CID117266540
Molecular FormulaC8H14ClNO2S
Molecular Weight223.72 g/mol
Exact Mass223.04
IUPAC Name1-(1-ethylpyrrolidin-2-yl)ethenesulfonyl chloride
SMILESC=C(C1CCCN1CC)S(=O)(=O)Cl
InChIInChI=1S/C8H14ClNO2S/c1-3-10-6-4-5-8(10)7(2)13(9,11)12/h8H,2-6H2,1H3
InChIKeyKITDQYZYOGAGFA-UHFFFAOYSA-N
XLogP1.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.72
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpyrrolidin-2-yl)ethenesulfonyl chloride
CID 117266539
3-(1-ethylpyrrolidin-2-yl)but-3-enal
CID 117268517
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
CID 66737893
CID 66737893
1-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride
CID 117266512
3-(1-ethylpiperidin-2-yl)but-3-enal
CID 117268573
acetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide
CID 67308625
1-ethyl-2-methylpyrrolidine;methanesulfonic acid
CID 175583828
(2S)-N-cyclopropyl-1-ethylpyrrolidine-2-carboxamide
CID 89087707
(2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 66936572
carbanide;1-[(2S)-1-ethylpyrrolidin-2-yl]propan-1-one;tungsten;yttrium
CID 59903933
(2S)-1-[(2S)-1-ethylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 174164435

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-2-yl)ethenesulfonyl chloride?
The IUPAC name of 1-(1-ethylpyrrolidin-2-yl)ethenesulfonyl chloride (CID 117266540) is 1-(1-ethylpyrrolidin-2-yl)ethenesulfonyl chloride.
What is the SMILES notation for 1-(1-ethylpyrrolidin-2-yl)ethenesulfonyl chloride?
The canonical SMILES for 1-(1-ethylpyrrolidin-2-yl)ethenesulfonyl chloride is C=C(C1CCCN1CC)S(=O)(=O)Cl.
What is the InChIKey of 1-(1-ethylpyrrolidin-2-yl)ethenesulfonyl chloride?
The InChIKey is KITDQYZYOGAGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2S/c1-3-10-6-4-5-8(10)7(2)13(9,11)12/h8H,2-6H2,1H3.
What are the key properties of 1-(1-ethylpyrrolidin-2-yl)ethenesulfonyl chloride?
1-(1-ethylpyrrolidin-2-yl)ethenesulfonyl chloride has a molecular weight of 223.72 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-2-yl)ethenesulfonyl chloride is sourced from PubChem (CID 117266540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).