N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide

C11H23N3O3S — CID 120820178

IUPACN-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C11H23N3O3S/c1-8(13-18(4,16)17)10(15)14-6-5-9(12)11(2,3)7-14/h8-9,13H,5-7,12H2,1-4H3
InChIKeyHYFGJGABPAIHHC-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.49
Rot. Bonds3

About N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide

N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide (PubChem CID 120820178) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
PubChem CID120820178
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC NameN-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C11H23N3O3S/c1-8(13-18(4,16)17)10(15)14-6-5-9(12)11(2,3)7-14/h8-9,13H,5-7,12H2,1-4H3
InChIKeyHYFGJGABPAIHHC-UHFFFAOYSA-N
XLogP-0.49
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 120818233
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 120815178
N-[(2S)-1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120820062
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-cyclohexylsulfonyl-3-methylbutan-1-one
CID 120816612
1-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
CID 120814480
methyl 4-amino-3,3-dimethylpiperidine-1-carboxylate
CID 115269783
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-thiophen-3-ylpropan-1-one
CID 120814120
N-[1-oxo-1-(2,2,6-trimethylmorpholin-4-yl)propan-2-yl]methanesulfonamide
CID 48692827
N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide;hydrochloride
CID 120820193
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 120818010
N-[1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 90648236
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 120814936

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide (CID 120820178) is N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide is CC(NS(C)(=O)=O)C(=O)N1CCC(N)C(C)(C)C1.
What is the InChIKey of N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide?
The InChIKey is HYFGJGABPAIHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-8(13-18(4,16)17)10(15)14-6-5-9(12)11(2,3)7-14/h8-9,13H,5-7,12H2,1-4H3.
What are the key properties of N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide?
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide has a molecular weight of 277.39 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide is sourced from PubChem (CID 120820178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).