N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide

C13H25N3O3S — CID 102779102

IUPACN-(1-ethylsulfonylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)C2NCCC2C)CC1
InChIInChI=1S/C13H25N3O3S/c1-3-20(18,19)16-8-5-11(6-9-16)15-13(17)12-10(2)4-7-14-12/h10-12,14H,3-9H2,1-2H3,(H,15,17)
InChIKeyFLGWQCBRUYICOS-UHFFFAOYSA-N
MW303.43 g/mol
LogP-0.09
Rot. Bonds4

About N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide

N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide (PubChem CID 102779102) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethylsulfonylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide
PubChem CID102779102
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC NameN-(1-ethylsulfonylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)C2NCCC2C)CC1
InChIInChI=1S/C13H25N3O3S/c1-3-20(18,19)16-8-5-11(6-9-16)15-13(17)12-10(2)4-7-14-12/h10-12,14H,3-9H2,1-2H3,(H,15,17)
InChIKeyFLGWQCBRUYICOS-UHFFFAOYSA-N
XLogP-0.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-tert-butylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide
CID 102778405
(2R,3S)-2-methyl-N-(1-propylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride
CID 120922485
3-methyl-N-(3-methylcyclobutyl)pyrrolidine-2-carboxamide
CID 102780045
3-methyl-N-(1-oxothian-4-yl)pyrrolidine-2-carboxamide
CID 102780062
3-methyl-N-(oxetan-3-yl)pyrrolidine-2-carboxamide
CID 102779731
N-(3-hydroxycyclobutyl)-3-methylpyrrolidine-2-carboxamide
CID 102779646
N-(3,5-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxamide
CID 102779573
4-amino-N-(1-ethylsulfonylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 61275448
N-(1-ethylsulfonylpiperidin-4-yl)-2-pyrrolidin-2-ylacetamide
CID 61365867
N-(1-ethylsulfonylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide
CID 112728744
3-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide
CID 102776765
N-butan-2-yl-3-methylpyrrolidine-2-carboxamide
CID 102776775

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide (CID 102779102) is N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide is CCS(=O)(=O)N1CCC(NC(=O)C2NCCC2C)CC1.
What is the InChIKey of N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide?
The InChIKey is FLGWQCBRUYICOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-3-20(18,19)16-8-5-11(6-9-16)15-13(17)12-10(2)4-7-14-12/h10-12,14H,3-9H2,1-2H3,(H,15,17).
What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide?
N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide has a molecular weight of 303.43 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-(1-ethylsulfonylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102779102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).