3-ethyl-N-methylsulfonylpiperidine-3-carboxamide

C9H18N2O3S — CID 103287680

IUPAC3-ethyl-N-methylsulfonylpiperidine-3-carboxamide
SMILESCCC1(C(=O)NS(C)(=O)=O)CCCNC1
InChIInChI=1S/C9H18N2O3S/c1-3-9(5-4-6-10-7-9)8(12)11-15(2,13)14/h10H,3-7H2,1-2H3,(H,11,12)
InChIKeyBUCDYOXZINHWSI-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.16
Rot. Bonds3

About 3-ethyl-N-methylsulfonylpiperidine-3-carboxamide

3-ethyl-N-methylsulfonylpiperidine-3-carboxamide (PubChem CID 103287680) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-ethyl-N-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-methylsulfonylpiperidine-3-carboxamide
PubChem CID103287680
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name3-ethyl-N-methylsulfonylpiperidine-3-carboxamide
SMILESCCC1(C(=O)NS(C)(=O)=O)CCCNC1
InChIInChI=1S/C9H18N2O3S/c1-3-9(5-4-6-10-7-9)8(12)11-15(2,13)14/h10H,3-7H2,1-2H3,(H,11,12)
InChIKeyBUCDYOXZINHWSI-UHFFFAOYSA-N
XLogP-0.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
CID 63131031
N-cyano-3-ethylpiperidine-3-carboxamide
CID 79194202
N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide
CID 63130017
N-(cyclopropylmethyl)-3-ethylpiperidine-3-carboxamide
CID 63132114
3-ethyl-N-[(2-methylpropan-2-yl)oxy]piperidine-3-carboxamide
CID 82724450
1-[(3-ethylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63131743
3-ethyl-N-[2-(methylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 63130528
3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid
CID 63131870
N-(3-amino-3-oxopropyl)-3-ethylpiperidine-3-carboxamide
CID 63130061
3-ethyl-N-heptan-2-ylpiperidine-3-carboxamide
CID 63130413
3-ethyl-N-morpholin-4-ylpiperidine-3-carboxamide
CID 83015753
3-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide
CID 106255498

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-methylsulfonylpiperidine-3-carboxamide (CID 103287680) is 3-ethyl-N-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-methylsulfonylpiperidine-3-carboxamide is CCC1(C(=O)NS(C)(=O)=O)CCCNC1.
What is the InChIKey of 3-ethyl-N-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is BUCDYOXZINHWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-3-9(5-4-6-10-7-9)8(12)11-15(2,13)14/h10H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 3-ethyl-N-methylsulfonylpiperidine-3-carboxamide?
3-ethyl-N-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 234.32 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 103287680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).