N-[3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]propyl]-4-methylbenzenesulfonamide

C17H25N5O2S — CID 134711398

IUPACN-[3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCNc2ncc(C)c(N(C)C)n2)cc1
InChIInChI=1S/C17H25N5O2S/c1-13-6-8-15(9-7-13)25(23,24)20-11-5-10-18-17-19-12-14(2)16(21-17)22(3)4/h6-9,12,20H,5,10-11H2,1-4H3,(H,18,19,21)
InChIKeyJEMVTVPYKCZHRK-UHFFFAOYSA-N
MW363.49 g/mol
LogP1.94
Rot. Bonds8

About N-[3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]propyl]-4-methylbenzenesulfonamide

N-[3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]propyl]-4-methylbenzenesulfonamide (PubChem CID 134711398) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is N-[3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]propyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]propyl]-4-methylbenzenesulfonamide
PubChem CID134711398
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC NameN-[3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCNc2ncc(C)c(N(C)C)n2)cc1
InChIInChI=1S/C17H25N5O2S/c1-13-6-8-15(9-7-13)25(23,24)20-11-5-10-18-17-19-12-14(2)16(21-17)22(3)4/h6-9,12,20H,5,10-11H2,1-4H3,(H,18,19,21)
InChIKeyJEMVTVPYKCZHRK-UHFFFAOYSA-N
XLogP1.94
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]propyl]-4-methylbenzenesulfonamide 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

4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
formic acid;4-N,4-N,5-trimethyl-2-N-[3-(triazol-1-yl)propyl]pyrimidine-2,4-diamine
CID 154917829
N-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]propyl]-4-methylbenzenesulfonamide
CID 134699084
4-methyl-N-[3-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonylamino]propyl]amino]ethyl]amino]propyl]benzenesulfonamide
CID 3090848
4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80750096
4-methyl-N-[3-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]propyl]benzenesulfonamide
CID 138607155
N-(4-fluorobutyl)-4-methylbenzenesulfonamide
CID 10933762
5-(dimethylamino)-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]naphthalene-1-sulfonamide
CID 11555407
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
CID 143460096
4-methyl-N-(5-methylhex-5-enyl)benzenesulfonamide
CID 100928656

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]propyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]propyl]-4-methylbenzenesulfonamide (CID 134711398) is N-[3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]propyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]propyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]propyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCNc2ncc(C)c(N(C)C)n2)cc1.
What is the InChIKey of N-[3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]propyl]-4-methylbenzenesulfonamide?
The InChIKey is JEMVTVPYKCZHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-13-6-8-15(9-7-13)25(23,24)20-11-5-10-18-17-19-12-14(2)16(21-17)22(3)4/h6-9,12,20H,5,10-11H2,1-4H3,(H,18,19,21).
What are the key properties of N-[3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]propyl]-4-methylbenzenesulfonamide?
N-[3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]propyl]-4-methylbenzenesulfonamide has a molecular weight of 363.49 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]propyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134711398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).