N-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]ethanesulfonamide

C13H22N4O2S — CID 133309388

IUPACN-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCN(c2nccc(C)n2)CC1
InChIInChI=1S/C13H22N4O2S/c1-4-20(18,19)16(3)12-6-9-17(10-7-12)13-14-8-5-11(2)15-13/h5,8,12H,4,6-7,9-10H2,1-3H3
InChIKeyOEHGLCIEWAERMU-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.04
Rot. Bonds4

About N-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]ethanesulfonamide

N-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]ethanesulfonamide (PubChem CID 133309388) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]ethanesulfonamide
PubChem CID133309388
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCN(c2nccc(C)n2)CC1
InChIInChI=1S/C13H22N4O2S/c1-4-20(18,19)16(3)12-6-9-17(10-7-12)13-14-8-5-11(2)15-13/h5,8,12H,4,6-7,9-10H2,1-3H3
InChIKeyOEHGLCIEWAERMU-UHFFFAOYSA-N
XLogP1.04
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine
CID 170581547
N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine
CID 123144666
2-[4-(ethoxymethyl)piperidin-1-yl]-4-methylpyrimidine
CID 133310058
4-methyl-2-(4-pentylsulfonylpiperazin-1-yl)pyrimidine
CID 133309853
3-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid
CID 62959980
N-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
CID 48736158
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
CID 178079017
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 15132532
2-[3-(chloromethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 63390343
2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 163347848
N-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]propan-2-amine
CID 55152111
(2S)-N-cyclopropyl-2-hydroxy-2-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]acetamide
CID 129489968

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]ethanesulfonamide (CID 133309388) is N-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)N(C)C1CCN(c2nccc(C)n2)CC1.
What is the InChIKey of N-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]ethanesulfonamide?
The InChIKey is OEHGLCIEWAERMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-4-20(18,19)16(3)12-6-9-17(10-7-12)13-14-8-5-11(2)15-13/h5,8,12H,4,6-7,9-10H2,1-3H3.
What are the key properties of N-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]ethanesulfonamide?
N-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]ethanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 133309388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).