N-[[1-(2-methylpyrrolidine-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide

C13H25N3O3S — CID 79388933

IUPACN-[[1-(2-methylpyrrolidine-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCC1NCCC1C(=O)N1CCCCC1CNS(C)(=O)=O
InChIInChI=1S/C13H25N3O3S/c1-10-12(6-7-14-10)13(17)16-8-4-3-5-11(16)9-15-20(2,18)19/h10-12,14-15H,3-9H2,1-2H3
InChIKeyLUXZXXWHCACZJL-UHFFFAOYSA-N
MW303.43 g/mol
LogP-0.09
Rot. Bonds4

About N-[[1-(2-methylpyrrolidine-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide

N-[[1-(2-methylpyrrolidine-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 79388933) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[[1-(2-methylpyrrolidine-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(2-methylpyrrolidine-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
PubChem CID79388933
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC NameN-[[1-(2-methylpyrrolidine-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCC1NCCC1C(=O)N1CCCCC1CNS(C)(=O)=O
InChIInChI=1S/C13H25N3O3S/c1-10-12(6-7-14-10)13(17)16-8-4-3-5-11(16)9-15-20(2,18)19/h10-12,14-15H,3-9H2,1-2H3
InChIKeyLUXZXXWHCACZJL-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-(2-aminocyclohexanecarbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 64824182
(2R)-N-ethyl-2-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 95160650
1-(2-methylpyrrolidine-3-carbonyl)azepane-2-carboxylic acid
CID 79385119
N-[[1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 132968715
N-[[1-(2-methoxy-2-methylpropanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 103028802
N-[[1-(2-propylsulfonylacetyl)piperidin-2-yl]methyl]methanesulfonamide
CID 132968697
N-[[1-[2-methyl-3-(methylamino)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 79202830
N-[[1-(2-thiomorpholin-3-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119936744
2-[2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-2-oxoethoxy]acetic acid
CID 61329043
N-[[1-(3-aminobutanoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722459
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpyrrolidin-3-yl)methanone
CID 82746210
N-[[1-[(2R)-2-aminopentanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 103795207

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpyrrolidine-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(2-methylpyrrolidine-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide (CID 79388933) is N-[[1-(2-methylpyrrolidine-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(2-methylpyrrolidine-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(2-methylpyrrolidine-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide is CC1NCCC1C(=O)N1CCCCC1CNS(C)(=O)=O.
What is the InChIKey of N-[[1-(2-methylpyrrolidine-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is LUXZXXWHCACZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-10-12(6-7-14-10)13(17)16-8-4-3-5-11(16)9-15-20(2,18)19/h10-12,14-15H,3-9H2,1-2H3.
What are the key properties of N-[[1-(2-methylpyrrolidine-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-(2-methylpyrrolidine-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide 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-(2-methylpyrrolidine-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 79388933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).