N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]methanesulfonamide

C11H23N3O3S — CID 79201762

IUPACN-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]methanesulfonamide
SMILESCNCC(C)C(=O)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C11H23N3O3S/c1-9(8-12-2)11(15)14-6-4-10(5-7-14)13-18(3,16)17/h9-10,12-13H,4-8H2,1-3H3
InChIKeyWFMOKMYSBGQZOQ-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.62
Rot. Bonds5

About N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]methanesulfonamide

N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]methanesulfonamide (PubChem CID 79201762) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]methanesulfonamide
PubChem CID79201762
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC NameN-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]methanesulfonamide
SMILESCNCC(C)C(=O)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C11H23N3O3S/c1-9(8-12-2)11(15)14-6-4-10(5-7-14)13-18(3,16)17/h9-10,12-13H,4-8H2,1-3H3
InChIKeyWFMOKMYSBGQZOQ-UHFFFAOYSA-N
XLogP-0.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methanesulfonamide
CID 61163904
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760
1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196326
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 79201880
1-(4-cyclopropylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79202628
2-methyl-3-(methylamino)-1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one
CID 119822280
N-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methanesulfonamide
CID 61164096
N,N-dimethyl-1-[2-methyl-3-(methylamino)propanoyl]piperidine-4-carboxamide
CID 79202506
2-methyl-3-(methylamino)-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 79201986
4-amino-5-[4-(methanesulfonamido)piperidin-1-yl]-5-oxopentanoic acid
CID 64888155
2-methyl-3-(methylamino)-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119851917
2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one
CID 79196742

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]methanesulfonamide (CID 79201762) is N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]methanesulfonamide is CNCC(C)C(=O)N1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is WFMOKMYSBGQZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-9(8-12-2)11(15)14-6-4-10(5-7-14)13-18(3,16)17/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]methanesulfonamide?
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 277.39 g/mol, XLogP of -0.62, 5 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-4-yl]methanesulfonamide is sourced from PubChem (CID 79201762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).