N-(2-methylpropoxy)-1-methylsulfonylpiperidine-3-carboxamide

C11H22N2O4S — CID 115410119

IUPACN-(2-methylpropoxy)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCC(C)CONC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O4S/c1-9(2)8-17-12-11(14)10-5-4-6-13(7-10)18(3,15)16/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyXEVDIUNWGIJCMY-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.36
Rot. Bonds5

About N-(2-methylpropoxy)-1-methylsulfonylpiperidine-3-carboxamide

N-(2-methylpropoxy)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 115410119) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is N-(2-methylpropoxy)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropoxy)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID115410119
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC NameN-(2-methylpropoxy)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCC(C)CONC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O4S/c1-9(2)8-17-12-11(14)10-5-4-6-13(7-10)18(3,15)16/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyXEVDIUNWGIJCMY-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 3261210
1-methylsulfonyl-N-(2,2,2-trifluoroethoxy)piperidine-3-carboxamide
CID 81343242
N-cyclopentyloxy-1-methylsulfonylpiperidine-3-carboxamide
CID 83206976
N-(2-methylpropoxy)-1-methylsulfonylpiperidine-2-carboxamide
CID 115410256
N-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 83031962
(2R)-4-methyl-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid
CID 78975931
2-methyl-3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid
CID 55105113
1-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 59841135
methyl (2S)-2-cyclopropyl-2-[[(3S)-1-methylsulfonylpiperidine-3-carbonyl]amino]acetate
CID 95783962
3-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid
CID 43357770
N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-methylpropoxy)-1-methylsulfonylpiperidine-3-carboxamide (CID 115410119) is N-(2-methylpropoxy)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropoxy)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-methylpropoxy)-1-methylsulfonylpiperidine-3-carboxamide is CC(C)CONC(=O)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-(2-methylpropoxy)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is XEVDIUNWGIJCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-9(2)8-17-12-11(14)10-5-4-6-13(7-10)18(3,15)16/h9-10H,4-8H2,1-3H3,(H,12,14).
What are the key properties of N-(2-methylpropoxy)-1-methylsulfonylpiperidine-3-carboxamide?
N-(2-methylpropoxy)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 278.37 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 115410119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).