N-(2-ethylsulfinylethyl)-4-methylpiperidine-4-carboxamide

C11H22N2O2S — CID 115760353

IUPACN-(2-ethylsulfinylethyl)-4-methylpiperidine-4-carboxamide
SMILESCCS(=O)CCNC(=O)C1(C)CCNCC1
InChIInChI=1S/C11H22N2O2S/c1-3-16(15)9-8-13-10(14)11(2)4-6-12-7-5-11/h12H,3-9H2,1-2H3,(H,13,14)
InChIKeyLMJHGUXOPBPTJW-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.26
Rot. Bonds5

About N-(2-ethylsulfinylethyl)-4-methylpiperidine-4-carboxamide

N-(2-ethylsulfinylethyl)-4-methylpiperidine-4-carboxamide (PubChem CID 115760353) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(2-ethylsulfinylethyl)-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfinylethyl)-4-methylpiperidine-4-carboxamide
PubChem CID115760353
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-(2-ethylsulfinylethyl)-4-methylpiperidine-4-carboxamide
SMILESCCS(=O)CCNC(=O)C1(C)CCNCC1
InChIInChI=1S/C11H22N2O2S/c1-3-16(15)9-8-13-10(14)11(2)4-6-12-7-5-11/h12H,3-9H2,1-2H3,(H,13,14)
InChIKeyLMJHGUXOPBPTJW-UHFFFAOYSA-N
XLogP0.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylethyl)-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-(2-ethylsulfinylethyl)-4-methylpiperidine-4-carboxamide (CID 115760353) is N-(2-ethylsulfinylethyl)-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethylsulfinylethyl)-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-ethylsulfinylethyl)-4-methylpiperidine-4-carboxamide is CCS(=O)CCNC(=O)C1(C)CCNCC1.
What is the InChIKey of N-(2-ethylsulfinylethyl)-4-methylpiperidine-4-carboxamide?
The InChIKey is LMJHGUXOPBPTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-3-16(15)9-8-13-10(14)11(2)4-6-12-7-5-11/h12H,3-9H2,1-2H3,(H,13,14).
What are the key properties of N-(2-ethylsulfinylethyl)-4-methylpiperidine-4-carboxamide?
N-(2-ethylsulfinylethyl)-4-methylpiperidine-4-carboxamide has a molecular weight of 246.38 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylethyl)-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 115760353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).