N-(1-ethylsulfonylpiperidin-4-yl)-2,2-dimethylpropanamide

C12H24N2O3S — CID 3218776

IUPACN-(1-ethylsulfonylpiperidin-4-yl)-2,2-dimethylpropanamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H24N2O3S/c1-5-18(16,17)14-8-6-10(7-9-14)13-11(15)12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyLXJJUDSBSPNRQS-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.96
Rot. Bonds3

About N-(1-ethylsulfonylpiperidin-4-yl)-2,2-dimethylpropanamide

N-(1-ethylsulfonylpiperidin-4-yl)-2,2-dimethylpropanamide (PubChem CID 3218776) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1-ethylsulfonylpiperidin-4-yl)-2,2-dimethylpropanamide
PubChem CID3218776
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-(1-ethylsulfonylpiperidin-4-yl)-2,2-dimethylpropanamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H24N2O3S/c1-5-18(16,17)14-8-6-10(7-9-14)13-11(15)12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyLXJJUDSBSPNRQS-UHFFFAOYSA-N
XLogP0.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3236575
N-(3-methylbutyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 4295316
N-(1-Methanesulfonyl-piperidin-4-yl)-2,2-dimethyl-propionamide
CID 3218771
Pentanamide, N-(1-(ethylsulfonyl)-4-piperidinyl)-2-propyl-
CID 1822717
N-(sec-butyl)-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3237619
N-[3-(Diethylamino)propyl]-1-(ethanesulfonyl)piperidine-4-carboxamide
CID 3599497
N-cyclopentyl-1-(ethylsulfonyl)piperidine-3-carboxamide
CID 3239584
1-(ethylsulfonyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 4580597
N-(1-propan-2-ylsulfonylpiperidin-4-yl)propanamide
CID 44313539
N-(1-propan-2-ylsulfonylpiperidin-4-yl)acetamide
CID 44313540
N-(1-propanoylpiperidin-4-yl)propane-2-sulfonamide
CID 44313610
N-(1-acetylpiperidin-4-yl)propane-2-sulfonamide
CID 44313611

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-2,2-dimethylpropanamide (CID 3218776) is N-(1-ethylsulfonylpiperidin-4-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1-ethylsulfonylpiperidin-4-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(1-ethylsulfonylpiperidin-4-yl)-2,2-dimethylpropanamide is CCS(=O)(=O)N1CCC(NC(=O)C(C)(C)C)CC1.
What is the InChIKey of N-(1-ethylsulfonylpiperidin-4-yl)-2,2-dimethylpropanamide?
The InChIKey is LXJJUDSBSPNRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-5-18(16,17)14-8-6-10(7-9-14)13-11(15)12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15).
What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)-2,2-dimethylpropanamide?
N-(1-ethylsulfonylpiperidin-4-yl)-2,2-dimethylpropanamide has a molecular weight of 276.40 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpiperidin-4-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 3218776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).