N-(1-ethylsulfonylpropan-2-yl)-4-propan-2-ylpiperidine-1-carboxamide

C14H28N2O3S — CID 71868246

IUPACN-(1-ethylsulfonylpropan-2-yl)-4-propan-2-ylpiperidine-1-carboxamide
SMILESCCS(=O)(=O)CC(C)NC(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C14H28N2O3S/c1-5-20(18,19)10-12(4)15-14(17)16-8-6-13(7-9-16)11(2)3/h11-13H,5-10H2,1-4H3,(H,15,17)
InChIKeyZVWCQSFWVXRFMY-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.89
Rot. Bonds5

About N-(1-ethylsulfonylpropan-2-yl)-4-propan-2-ylpiperidine-1-carboxamide

N-(1-ethylsulfonylpropan-2-yl)-4-propan-2-ylpiperidine-1-carboxamide (PubChem CID 71868246) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(1-ethylsulfonylpropan-2-yl)-4-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethylsulfonylpropan-2-yl)-4-propan-2-ylpiperidine-1-carboxamide
PubChem CID71868246
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-(1-ethylsulfonylpropan-2-yl)-4-propan-2-ylpiperidine-1-carboxamide
SMILESCCS(=O)(=O)CC(C)NC(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C14H28N2O3S/c1-5-20(18,19)10-12(4)15-14(17)16-8-6-13(7-9-16)11(2)3/h11-13H,5-10H2,1-4H3,(H,15,17)
InChIKeyZVWCQSFWVXRFMY-UHFFFAOYSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-ethylsulfonylpropan-2-yl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 124885278
N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115626187
N-(1-methylsulfonylpropan-2-yl)piperidine-1-carboxamide
CID 115626185
3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 106836832
4-[(1R)-1-hydroxyethyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-1-carboxamide
CID 95348703
(2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid
CID 103500332
N-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide
CID 95051739
N-(1-ethylsulfonylpropan-2-yl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 126793104
N-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 79159288
4-methylsulfonyl-N-pentan-3-ylpiperidine-1-carboxamide
CID 90585273
1-(heptan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 61465992
(2S)-4-amino-4-oxo-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid
CID 103500595

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-4-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-4-propan-2-ylpiperidine-1-carboxamide (CID 71868246) is N-(1-ethylsulfonylpropan-2-yl)-4-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1-ethylsulfonylpropan-2-yl)-4-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(1-ethylsulfonylpropan-2-yl)-4-propan-2-ylpiperidine-1-carboxamide is CCS(=O)(=O)CC(C)NC(=O)N1CCC(C(C)C)CC1.
What is the InChIKey of N-(1-ethylsulfonylpropan-2-yl)-4-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is ZVWCQSFWVXRFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-5-20(18,19)10-12(4)15-14(17)16-8-6-13(7-9-16)11(2)3/h11-13H,5-10H2,1-4H3,(H,15,17).
What are the key properties of N-(1-ethylsulfonylpropan-2-yl)-4-propan-2-ylpiperidine-1-carboxamide?
N-(1-ethylsulfonylpropan-2-yl)-4-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpropan-2-yl)-4-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 71868246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).