2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)butanamide

C11H22N2O4S — CID 47460723

IUPAC2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)butanamide
SMILESCCC(OC)C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H22N2O4S/c1-4-10(17-2)11(14)12-9-5-7-13(8-6-9)18(3,15)16/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyGBTAJHDDFNNGQW-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.05
Rot. Bonds5

About 2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)butanamide

2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)butanamide (PubChem CID 47460723) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)butanamide
PubChem CID47460723
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)butanamide
SMILESCCC(OC)C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H22N2O4S/c1-4-10(17-2)11(14)12-9-5-7-13(8-6-9)18(3,15)16/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyGBTAJHDDFNNGQW-UHFFFAOYSA-N
XLogP-0.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 106111386
(2R)-2-amino-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pentanamide
CID 56865366
N-(1-methylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylpentanamide
CID 56867451
1-[(1-methylsulfonylpiperidin-4-yl)amino]butan-2-ol
CID 60887095
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride
CID 119276757
2-bromo-N-(1-propylsulfonylpiperidin-4-yl)butanamide
CID 62854305
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide
CID 61274117
2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 106107966
methyl 2-amino-2-(1-methylsulfonylpiperidin-4-yl)acetate
CID 130277693
4-amino-N-(1-methylsulfonylpiperidin-4-yl)benzamide;hydrochloride
CID 119699919
N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990361
2-(2-aminoethoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 79473115

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)butanamide?
The IUPAC name of 2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)butanamide (CID 47460723) is 2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)butanamide.
What is the SMILES notation for 2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)butanamide?
The canonical SMILES for 2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)butanamide is CCC(OC)C(=O)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)butanamide?
The InChIKey is GBTAJHDDFNNGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-4-10(17-2)11(14)12-9-5-7-13(8-6-9)18(3,15)16/h9-10H,4-8H2,1-3H3,(H,12,14).
What are the key properties of 2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)butanamide?
2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)butanamide has a molecular weight of 278.37 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)butanamide is sourced from PubChem (CID 47460723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).