4-(methylaminomethyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-sulfonamide

C13H23N5O2S — CID 106014232

IUPAC4-(methylaminomethyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NCc2ccnc(C)n2)CC1
InChIInChI=1S/C13H23N5O2S/c1-11-15-6-3-13(17-11)10-16-21(19,20)18-7-4-12(5-8-18)9-14-2/h3,6,12,14,16H,4-5,7-10H2,1-2H3
InChIKeyPMTBAIKIGWLNQR-UHFFFAOYSA-N
MW313.43 g/mol
LogP0.05
Rot. Bonds6

About 4-(methylaminomethyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-sulfonamide

4-(methylaminomethyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-sulfonamide (PubChem CID 106014232) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-sulfonamide
PubChem CID106014232
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC Name4-(methylaminomethyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NCc2ccnc(C)n2)CC1
InChIInChI=1S/C13H23N5O2S/c1-11-15-6-3-13(17-11)10-16-21(19,20)18-7-4-12(5-8-18)9-14-2/h3,6,12,14,16H,4-5,7-10H2,1-2H3
InChIKeyPMTBAIKIGWLNQR-UHFFFAOYSA-N
XLogP0.05
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(methylaminomethyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(methylaminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106055017
4-(methylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106106639
4-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)piperidine-1-sulfonamide
CID 106063201
1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 60961240
2-[(2-methylpyrimidin-4-yl)methylsulfamoyl]propanoic acid
CID 54947709
4-(methylaminomethyl)-N-pyridazin-3-ylpiperidine-1-sulfonamide
CID 106084219
4-(methylaminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106423659
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyrrolidine-1-sulfonamide
CID 122353302
1-(1-ethylpyrrolidin-3-yl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 55109731
4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide
CID 106061089
N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 115409174
3-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106065622

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-sulfonamide (CID 106014232) is 4-(methylaminomethyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-sulfonamide is CNCC1CCN(S(=O)(=O)NCc2ccnc(C)n2)CC1.
What is the InChIKey of 4-(methylaminomethyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is PMTBAIKIGWLNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-11-15-6-3-13(17-11)10-16-21(19,20)18-7-4-12(5-8-18)9-14-2/h3,6,12,14,16H,4-5,7-10H2,1-2H3.
What are the key properties of 4-(methylaminomethyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-sulfonamide?
4-(methylaminomethyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 313.43 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106014232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).