N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide

C9H18N2O2S — CID 115739346

IUPACN-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide
SMILESCCS(=O)CCNC(=O)C1CCNC1
InChIInChI=1S/C9H18N2O2S/c1-2-14(13)6-5-11-9(12)8-3-4-10-7-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeySZZHJTGMHXAOQT-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.52
Rot. Bonds5

About N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide

N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide (PubChem CID 115739346) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide
PubChem CID115739346
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide
SMILESCCS(=O)CCNC(=O)C1CCNC1
InChIInChI=1S/C9H18N2O2S/c1-2-14(13)6-5-11-9(12)8-3-4-10-7-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeySZZHJTGMHXAOQT-UHFFFAOYSA-N
XLogP-0.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylsulfinylethyl)-3-pyrrolidin-3-ylpropanamide
CID 115774837
N-tetradecylpyrrolidine-3-carboxamide;hydrochloride
CID 154586688
N-(2-fluoroethyl)pyrrolidine-3-carboxamide
CID 76624204
N-(2-fluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 87325134
(3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 165429633
N-pent-3-ynylpyrrolidine-3-carboxamide
CID 116644143
N-[4-(diethylamino)butyl]pyrrolidine-3-carboxamide
CID 119852584
N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide
CID 106186798
N-[2-(dimethylsulfamoyl)ethyl]pyrrolidine-3-carboxamide
CID 106337238
N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 55150802
N-[2-[butan-2-yl(methyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 103814267
(3S)-N-prop-2-enylpyrrolidine-3-carboxamide
CID 94915636

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide (CID 115739346) is N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide is CCS(=O)CCNC(=O)C1CCNC1.
What is the InChIKey of N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide?
The InChIKey is SZZHJTGMHXAOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-2-14(13)6-5-11-9(12)8-3-4-10-7-8/h8,10H,2-7H2,1H3,(H,11,12).
What are the key properties of N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide?
N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide has a molecular weight of 218.32 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 115739346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).