N-[[1-[2-methyl-3-(methylamino)propanoyl]piperidin-2-yl]methyl]methanesulfonamide

C12H25N3O3S — CID 79202830

IUPACN-[[1-[2-methyl-3-(methylamino)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCNCC(C)C(=O)N1CCCCC1CNS(C)(=O)=O
InChIInChI=1S/C12H25N3O3S/c1-10(8-13-2)12(16)15-7-5-4-6-11(15)9-14-19(3,17)18/h10-11,13-14H,4-9H2,1-3H3
InChIKeySZZXHVODEWUHSV-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.23
Rot. Bonds6

About N-[[1-[2-methyl-3-(methylamino)propanoyl]piperidin-2-yl]methyl]methanesulfonamide

N-[[1-[2-methyl-3-(methylamino)propanoyl]piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 79202830) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[[1-[2-methyl-3-(methylamino)propanoyl]piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[2-methyl-3-(methylamino)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
PubChem CID79202830
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-[[1-[2-methyl-3-(methylamino)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCNCC(C)C(=O)N1CCCCC1CNS(C)(=O)=O
InChIInChI=1S/C12H25N3O3S/c1-10(8-13-2)12(16)15-7-5-4-6-11(15)9-14-19(3,17)18/h10-11,13-14H,4-9H2,1-3H3
InChIKeySZZXHVODEWUHSV-UHFFFAOYSA-N
XLogP-0.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(5-amino-2-methylpentanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 104684436
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 107217986
1-(2-ethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119793413
N-[[1-[(2R)-2-aminopentanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 103795207
N-[[1-(3-aminobutanoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722459
2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride
CID 119785159
N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215595
(2R)-N-ethyl-2-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 95160650
2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119875378
methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate
CID 79202285
N-[[1-(4,4-difluoropiperidine-1-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 146149266
2,2-difluoro-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 103514142

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-methyl-3-(methylamino)propanoyl]piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[2-methyl-3-(methylamino)propanoyl]piperidin-2-yl]methyl]methanesulfonamide (CID 79202830) is N-[[1-[2-methyl-3-(methylamino)propanoyl]piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[2-methyl-3-(methylamino)propanoyl]piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[2-methyl-3-(methylamino)propanoyl]piperidin-2-yl]methyl]methanesulfonamide is CNCC(C)C(=O)N1CCCCC1CNS(C)(=O)=O.
What is the InChIKey of N-[[1-[2-methyl-3-(methylamino)propanoyl]piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is SZZXHVODEWUHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-10(8-13-2)12(16)15-7-5-4-6-11(15)9-14-19(3,17)18/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of N-[[1-[2-methyl-3-(methylamino)propanoyl]piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-[2-methyl-3-(methylamino)propanoyl]piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 291.42 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-methyl-3-(methylamino)propanoyl]piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 79202830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).