3-ethyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide

C11H22N2O3S — CID 63131031

IUPAC3-ethyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
SMILESCCC1(C(=O)NCCS(C)(=O)=O)CCCNC1
InChIInChI=1S/C11H22N2O3S/c1-3-11(5-4-6-12-9-11)10(14)13-7-8-17(2,15)16/h12H,3-9H2,1-2H3,(H,13,14)
InChIKeyKYANVRDGWSATDK-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.07
Rot. Bonds5

About 3-ethyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide

3-ethyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide (PubChem CID 63131031) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 3-ethyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
PubChem CID63131031
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name3-ethyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
SMILESCCC1(C(=O)NCCS(C)(=O)=O)CCCNC1
InChIInChI=1S/C11H22N2O3S/c1-3-11(5-4-6-12-9-11)10(14)13-7-8-17(2,15)16/h12H,3-9H2,1-2H3,(H,13,14)
InChIKeyKYANVRDGWSATDK-UHFFFAOYSA-N
XLogP-0.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide
CID 63130017
3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid
CID 63131870
3-methyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
CID 63131076
3-ethyl-N-methylsulfonylpiperidine-3-carboxamide
CID 103287680
N-(3-amino-3-oxopropyl)-3-ethylpiperidine-3-carboxamide
CID 63130061
N-(cyclopropylmethyl)-3-ethylpiperidine-3-carboxamide
CID 63132114
3-ethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 63135374
3-ethyl-N-[2-(methylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 63130528
N-(2-methylsulfonylethyl)-4-propylpiperidine-4-carboxamide
CID 55177593
ethyl 4-[(3-ethylpiperidine-3-carbonyl)amino]butanoate
CID 64575035
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-ethylpiperidine-3-carboxamide
CID 106236645
3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 63132469

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide (CID 63131031) is 3-ethyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide is CCC1(C(=O)NCCS(C)(=O)=O)CCCNC1.
What is the InChIKey of 3-ethyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide?
The InChIKey is KYANVRDGWSATDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-11(5-4-6-12-9-11)10(14)13-7-8-17(2,15)16/h12H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 3-ethyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide?
3-ethyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide has a molecular weight of 262.37 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 63131031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).