2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]butanamide

C11H23N3O3S — CID 112738058

IUPAC2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]butanamide
SMILESCCC(C)(NC1CCN(S(C)(=O)=O)CC1)C(N)=O
InChIInChI=1S/C11H23N3O3S/c1-4-11(2,10(12)15)13-9-5-7-14(8-6-9)18(3,16)17/h9,13H,4-8H2,1-3H3,(H2,12,15)
InChIKeyXMEGNWOSACBRDE-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.35
Rot. Bonds5

About 2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]butanamide

2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]butanamide (PubChem CID 112738058) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]butanamide
PubChem CID112738058
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]butanamide
SMILESCCC(C)(NC1CCN(S(C)(=O)=O)CC1)C(N)=O
InChIInChI=1S/C11H23N3O3S/c1-4-11(2,10(12)15)13-9-5-7-14(8-6-9)18(3,16)17/h9,13H,4-8H2,1-3H3,(H2,12,15)
InChIKeyXMEGNWOSACBRDE-UHFFFAOYSA-N
XLogP-0.35
TPSA92.50 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 ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-N-(2,3,3-trimethylbutan-2-yl)piperidin-4-amine
CID 58297307
5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide
CID 114239295
N-tert-butyl-1-methylsulfonylpyrrolidin-3-amine
CID 72663039
2-methyl-1-(1-methylsulfonylpiperidin-4-yl)guanidine
CID 167193473
N-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119642002
2-(cyclopropylamino)-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexanamide
CID 63660311
2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanamide
CID 79184111
2-[(1-ethylazepan-4-yl)amino]-2-methylpropanamide
CID 65073333
N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide
CID 102673469
2-[(4-carbamoylcyclohexyl)amino]-2-methylbutanoic acid
CID 114991643
2-(cyclobutylamino)-2-methylbutanoic acid
CID 82239300
2,2-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one
CID 118217451

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]butanamide?
The IUPAC name of 2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]butanamide (CID 112738058) is 2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]butanamide.
What is the SMILES notation for 2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]butanamide?
The canonical SMILES for 2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]butanamide is CCC(C)(NC1CCN(S(C)(=O)=O)CC1)C(N)=O.
What is the InChIKey of 2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]butanamide?
The InChIKey is XMEGNWOSACBRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-4-11(2,10(12)15)13-9-5-7-14(8-6-9)18(3,16)17/h9,13H,4-8H2,1-3H3,(H2,12,15).
What are the key properties of 2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]butanamide?
2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]butanamide has a molecular weight of 277.39 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]butanamide is sourced from PubChem (CID 112738058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).