N,N,4-trimethyl-1-methylsulfonylpiperidine-4-carboxamide

C10H20N2O3S — CID 163233822

IUPACN,N,4-trimethyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1(C)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H20N2O3S/c1-10(9(13)11(2)3)5-7-12(8-6-10)16(4,14)15/h5-8H2,1-4H3
InChIKeyKBTXSBPZGVGMDW-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.14
Rot. Bonds2

About N,N,4-trimethyl-1-methylsulfonylpiperidine-4-carboxamide

N,N,4-trimethyl-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 163233822) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N,N,4-trimethyl-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID163233822
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN,N,4-trimethyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1(C)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H20N2O3S/c1-10(9(13)11(2)3)5-7-12(8-6-10)16(4,14)15/h5-8H2,1-4H3
InChIKeyKBTXSBPZGVGMDW-UHFFFAOYSA-N
XLogP0.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N,N,4-trimethyl-1-methylsulfonylpiperidine-4-carboxamide (CID 163233822) is N,N,4-trimethyl-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N,N,4-trimethyl-1-methylsulfonylpiperidine-4-carboxamide is CN(C)C(=O)C1(C)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N,N,4-trimethyl-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is KBTXSBPZGVGMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-10(9(13)11(2)3)5-7-12(8-6-10)16(4,14)15/h5-8H2,1-4H3.
What are the key properties of N,N,4-trimethyl-1-methylsulfonylpiperidine-4-carboxamide?
N,N,4-trimethyl-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 248.35 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 163233822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).