N-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]ethanesulfonamide

C13H25N3O3S — CID 119322028

IUPACN-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCN(C(=O)C2CCCN2)CC1
InChIInChI=1S/C13H25N3O3S/c1-3-20(18,19)15(2)11-6-9-16(10-7-11)13(17)12-5-4-8-14-12/h11-12,14H,3-10H2,1-2H3
InChIKeyFCYXKXOLDCFEFX-UHFFFAOYSA-N
MW303.43 g/mol
LogP0.01
Rot. Bonds4

About N-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]ethanesulfonamide

N-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]ethanesulfonamide (PubChem CID 119322028) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]ethanesulfonamide
PubChem CID119322028
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC NameN-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCN(C(=O)C2CCCN2)CC1
InChIInChI=1S/C13H25N3O3S/c1-3-20(18,19)15(2)11-6-9-16(10-7-11)13(17)12-5-4-8-14-12/h11-12,14H,3-10H2,1-2H3
InChIKeyFCYXKXOLDCFEFX-UHFFFAOYSA-N
XLogP0.01
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 94372824
[4-(dimethylamino)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;dihydrochloride
CID 119958508
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119336352
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 129412705
(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119032238
N-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-4-yl]methanesulfonamide
CID 103794357
[4-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 43133259
[(2S)-piperidin-2-yl]-(4-propylsulfonylpiperazin-1-yl)methanone
CID 103808772
[3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 104913920
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
(4-aminopiperidin-1-yl)-pyrrolidin-2-ylmethanone
CID 110461351

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]ethanesulfonamide (CID 119322028) is N-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)N(C)C1CCN(C(=O)C2CCCN2)CC1.
What is the InChIKey of N-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]ethanesulfonamide?
The InChIKey is FCYXKXOLDCFEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-3-20(18,19)15(2)11-6-9-16(10-7-11)13(17)12-5-4-8-14-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]ethanesulfonamide?
N-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]ethanesulfonamide has a molecular weight of 303.43 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 119322028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).