N-ethylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxamide

C10H20N2O3S — CID 106981399

IUPACN-ethylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCS(=O)(=O)NC(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C10H20N2O3S/c1-4-16(14,15)12-9(13)10(8(2)3)5-6-11-7-10/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyCHKKYNJKPFUHEV-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.09
Rot. Bonds4

About N-ethylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxamide

N-ethylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106981399) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-ethylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106981399
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-ethylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCS(=O)(=O)NC(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C10H20N2O3S/c1-4-16(14,15)12-9(13)10(8(2)3)5-6-11-7-10/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyCHKKYNJKPFUHEV-UHFFFAOYSA-N
XLogP0.09
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107218541
3-propan-2-ylpyrrolidine-3-carbohydrazide
CID 106980734
N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980333
(2S)-3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980329
3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980275
N-(1-methylcyclobutyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981268
N-(4-hydroxy-3-methylbutan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981266
N-[2-[methyl(propan-2-yl)amino]ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980592
2-[[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 106980822
N-(3,3-dimethylbutan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981240
N-[1-(hydroxymethyl)cyclobutyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981299
N-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981418

Frequently Asked Questions

What is the IUPAC name of N-ethylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-ethylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106981399) is N-ethylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-ethylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxamide is CCS(=O)(=O)NC(=O)C1(C(C)C)CCNC1.
What is the InChIKey of N-ethylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is CHKKYNJKPFUHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-4-16(14,15)12-9(13)10(8(2)3)5-6-11-7-10/h8,11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of N-ethylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxamide?
N-ethylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 248.35 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106981399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).