N-ethyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide

C11H22N2O3S — CID 61356516

IUPACN-ethyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C11H22N2O3S/c1-4-12-11(14)10-5-7-13(8-6-10)17(15,16)9(2)3/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeySXGIUXFRWSQDQI-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.57
Rot. Bonds4

About N-ethyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide

N-ethyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 61356516) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-ethyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID61356516
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-ethyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C11H22N2O3S/c1-4-12-11(14)10-5-7-13(8-6-10)17(15,16)9(2)3/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeySXGIUXFRWSQDQI-UHFFFAOYSA-N
XLogP0.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(ethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid
CID 60950734
N-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide
CID 44591952
1-[butyl(methyl)sulfamoyl]-N-ethylpiperidine-4-carboxamide
CID 86931198
1-(2,6-dichlorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 40630200
1-(2-bromo-3-methylbutanoyl)-N-ethylpiperidine-4-carboxamide
CID 54875467
1-(5-amino-3-methylimidazol-4-yl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 63978894
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207
N-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 110350939
1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 27234823
methyl 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]acetate
CID 43407010
1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-ethylpiperidine-4-carboxamide
CID 61115622
methyl 3-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-2-hydroxypropanoate
CID 103879591

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide (CID 61356516) is N-ethyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide is CCNC(=O)C1CCN(S(=O)(=O)C(C)C)CC1.
What is the InChIKey of N-ethyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is SXGIUXFRWSQDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-4-12-11(14)10-5-7-13(8-6-10)17(15,16)9(2)3/h9-10H,4-8H2,1-3H3,(H,12,14).
What are the key properties of N-ethyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide?
N-ethyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 262.37 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 61356516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).