N,N-diethyl-2-pyrrolidin-2-ylethanesulfonamide

C10H22N2O2S — CID 115040519

IUPACN,N-diethyl-2-pyrrolidin-2-ylethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CCC1CCCN1
InChIInChI=1S/C10H22N2O2S/c1-3-12(4-2)15(13,14)9-7-10-6-5-8-11-10/h10-11H,3-9H2,1-2H3
InChIKeyIJGIBHFAVCMXMU-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.80
Rot. Bonds6

About N,N-diethyl-2-pyrrolidin-2-ylethanesulfonamide

N,N-diethyl-2-pyrrolidin-2-ylethanesulfonamide (PubChem CID 115040519) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N,N-diethyl-2-pyrrolidin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2-pyrrolidin-2-ylethanesulfonamide
PubChem CID115040519
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN,N-diethyl-2-pyrrolidin-2-ylethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CCC1CCCN1
InChIInChI=1S/C10H22N2O2S/c1-3-12(4-2)15(13,14)9-7-10-6-5-8-11-10/h10-11H,3-9H2,1-2H3
InChIKeyIJGIBHFAVCMXMU-UHFFFAOYSA-N
XLogP0.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylsulfonylethyl)pyrrolidine
CID 84663605
N-cyclopropyl-N-ethyl-2-piperidin-2-ylethanesulfonamide
CID 54972623
N,N-bis(2-methylpropyl)-2-piperidin-2-ylethanesulfonamide
CID 61378664
2-[2-(diethylsulfamoylamino)ethyl]pyrrolidine
CID 114794250
N-methyl-2-piperidin-2-yl-N-propylethanesulfonamide
CID 60863663
2-(2-tert-butylsulfonylethyl)pyrrolidine
CID 84685127
N-propyl-2-pyrrolidin-2-ylethanesulfonamide
CID 115071362
N-ethyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
CID 106608119
N-[2-(dimethylamino)ethyl]-N-methyl-2-piperidin-2-ylethanesulfonamide
CID 63700740
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 79377843
1-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106607994
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide
CID 106608788

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-pyrrolidin-2-ylethanesulfonamide?
The IUPAC name of N,N-diethyl-2-pyrrolidin-2-ylethanesulfonamide (CID 115040519) is N,N-diethyl-2-pyrrolidin-2-ylethanesulfonamide.
What is the SMILES notation for N,N-diethyl-2-pyrrolidin-2-ylethanesulfonamide?
The canonical SMILES for N,N-diethyl-2-pyrrolidin-2-ylethanesulfonamide is CCN(CC)S(=O)(=O)CCC1CCCN1.
What is the InChIKey of N,N-diethyl-2-pyrrolidin-2-ylethanesulfonamide?
The InChIKey is IJGIBHFAVCMXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-3-12(4-2)15(13,14)9-7-10-6-5-8-11-10/h10-11H,3-9H2,1-2H3.
What are the key properties of N,N-diethyl-2-pyrrolidin-2-ylethanesulfonamide?
N,N-diethyl-2-pyrrolidin-2-ylethanesulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-pyrrolidin-2-ylethanesulfonamide is sourced from PubChem (CID 115040519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).