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

C10H20N2O3S — CID 63131076

IUPAC3-methyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
SMILESCC1(C(=O)NCCS(C)(=O)=O)CCCNC1
InChIInChI=1S/C10H20N2O3S/c1-10(4-3-5-11-8-10)9(13)12-6-7-16(2,14)15/h11H,3-8H2,1-2H3,(H,12,13)
InChIKeyYAFASFOEJANEPP-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.46
Rot. Bonds4

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

3-methyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide (PubChem CID 63131076) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-methyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
PubChem CID63131076
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name3-methyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
SMILESCC1(C(=O)NCCS(C)(=O)=O)CCCNC1
InChIInChI=1S/C10H20N2O3S/c1-10(4-3-5-11-8-10)9(13)12-6-7-16(2,14)15/h11H,3-8H2,1-2H3,(H,12,13)
InChIKeyYAFASFOEJANEPP-UHFFFAOYSA-N
XLogP-0.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
CID 63131031
3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 63130405
N-hexyl-3-methylpiperidine-3-carboxamide
CID 63130071
N-(3-methoxypropyl)-3-methylpiperidine-3-carboxamide
CID 63130047
3-methyl-N-pent-3-ynylpiperidine-3-carboxamide
CID 116644144
N-(3-cyanopropyl)-3-methylpiperidine-3-carboxamide
CID 63133316
3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 55164315
7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid
CID 63131790
2-hydroxy-4-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 114006844
3-methyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119945471
4-methyl-N-(3-methylsulfonylpropyl)piperidine-4-carboxamide
CID 63122628
N-(2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
CID 63129926

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide (CID 63131076) is 3-methyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide is CC1(C(=O)NCCS(C)(=O)=O)CCCNC1.
What is the InChIKey of 3-methyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide?
The InChIKey is YAFASFOEJANEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-10(4-3-5-11-8-10)9(13)12-6-7-16(2,14)15/h11H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 3-methyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide?
3-methyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide has a molecular weight of 248.35 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 63131076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).