4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide

C17H31N5O2S — CID 92638081

IUPAC4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC(Cc2cc(N(C)C)nc(C)n2)CC1
InChIInChI=1S/C17H31N5O2S/c1-6-21(7-2)25(23,24)22-10-8-15(9-11-22)12-16-13-17(20(4)5)19-14(3)18-16/h13,15H,6-12H2,1-5H3
InChIKeyLGEKOZAVVWCCQE-UHFFFAOYSA-N
MW369.54 g/mol
LogP1.69
Rot. Bonds7

About 4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide

4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide (PubChem CID 92638081) has the molecular formula C17H31N5O2S and a molecular weight of 369.54 g/mol. Its IUPAC name is 4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide
PubChem CID92638081
Molecular FormulaC17H31N5O2S
Molecular Weight369.54 g/mol
Exact Mass369.22
IUPAC Name4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC(Cc2cc(N(C)C)nc(C)n2)CC1
InChIInChI=1S/C17H31N5O2S/c1-6-21(7-2)25(23,24)22-10-8-15(9-11-22)12-16-13-17(20(4)5)19-14(3)18-16/h13,15H,6-12H2,1-5H3
InChIKeyLGEKOZAVVWCCQE-UHFFFAOYSA-N
XLogP1.69
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide?
The IUPAC name of 4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide (CID 92638081) is 4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCC(Cc2cc(N(C)C)nc(C)n2)CC1.
What is the InChIKey of 4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide?
The InChIKey is LGEKOZAVVWCCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O2S/c1-6-21(7-2)25(23,24)22-10-8-15(9-11-22)12-16-13-17(20(4)5)19-14(3)18-16/h13,15H,6-12H2,1-5H3.
What are the key properties of 4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide?
4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide has a molecular weight of 369.54 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide is sourced from PubChem (CID 92638081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).