3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide

C15H22N6O2S — CID 133418608

IUPAC3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide
SMILESCC(C)c1nc(NCc2cccc(S(N)(=O)=O)c2)nc(N(C)C)n1
InChIInChI=1S/C15H22N6O2S/c1-10(2)13-18-14(20-15(19-13)21(3)4)17-9-11-6-5-7-12(8-11)24(16,22)23/h5-8,10H,9H2,1-4H3,(H2,16,22,23)(H,17,18,19,20)
InChIKeyOVPAQPVSOZRWKD-UHFFFAOYSA-N
MW350.45 g/mol
LogP1.32
Rot. Bonds6

About 3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide

3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide (PubChem CID 133418608) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is 3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide
PubChem CID133418608
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Name3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide
SMILESCC(C)c1nc(NCc2cccc(S(N)(=O)=O)c2)nc(N(C)C)n1
InChIInChI=1S/C15H22N6O2S/c1-10(2)13-18-14(20-15(19-13)21(3)4)17-9-11-6-5-7-12(8-11)24(16,22)23/h5-8,10H,9H2,1-4H3,(H2,16,22,23)(H,17,18,19,20)
InChIKeyOVPAQPVSOZRWKD-UHFFFAOYSA-N
XLogP1.32
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide with MolForge

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Related Compounds

3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]-N-methylbenzamide
CID 133418388
2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3-pyridin-2-ylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 133421851
3-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]benzenesulfonamide
CID 100670807
3-[(pentan-3-ylamino)methyl]benzenesulfonamide
CID 54927067
3-[(5-methylhexan-2-ylamino)methyl]benzenesulfonamide
CID 60857993
3-(2-aminopropyl)benzenesulfonamide
CID 72637077
6-N-ethyl-2-N,2-N-dimethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80773733
3-[(ethylsulfonylamino)methyl]benzenesulfonamide
CID 47337146
6-chloro-2-N,2-N-dimethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 55125138
4-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 133433154
3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 60860114
N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide
CID 114141820

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide (CID 133418608) is 3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide is CC(C)c1nc(NCc2cccc(S(N)(=O)=O)c2)nc(N(C)C)n1.
What is the InChIKey of 3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide?
The InChIKey is OVPAQPVSOZRWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-10(2)13-18-14(20-15(19-13)21(3)4)17-9-11-6-5-7-12(8-11)24(16,22)23/h5-8,10H,9H2,1-4H3,(H2,16,22,23)(H,17,18,19,20).
What are the key properties of 3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide?
3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide has a molecular weight of 350.45 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 133418608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).