N-methyl-1-methylsulfonylpiperidine-4-carboxamide

C8H16N2O3S — CID 1081282

IUPACN-methyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H16N2O3S/c1-9-8(11)7-3-5-10(6-4-7)14(2,12)13/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyBZBFJHUESYRXJU-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.60
Rot. Bonds2

About N-methyl-1-methylsulfonylpiperidine-4-carboxamide

N-methyl-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 1081282) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-methyl-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID1081282
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN-methyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H16N2O3S/c1-9-8(11)7-3-5-10(6-4-7)14(2,12)13/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyBZBFJHUESYRXJU-UHFFFAOYSA-N
XLogP-0.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-methyl-1-methylsulfonylpiperidine-4-carboxamide (CID 1081282) is N-methyl-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-methylsulfonylpiperidine-4-carboxamide is CNC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is BZBFJHUESYRXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-9-8(11)7-3-5-10(6-4-7)14(2,12)13/h7H,3-6H2,1-2H3,(H,9,11).
What are the key properties of N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
N-methyl-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 220.29 g/mol, XLogP of -0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1081282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).