3-(benzenesulfonyl)-N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]propanamide

C17H24N6O3S — CID 121137869

IUPAC3-(benzenesulfonyl)-N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]propanamide
SMILESCN(C)c1nc(CNC(=O)CCS(=O)(=O)c2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C17H24N6O3S/c1-22(2)16-19-14(20-17(21-16)23(3)4)12-18-15(24)10-11-27(25,26)13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3,(H,18,24)
InChIKeyNYMSRWDWWJLZJX-UHFFFAOYSA-N
MW392.49 g/mol
LogP0.48
Rot. Bonds8

About 3-(benzenesulfonyl)-N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]propanamide

3-(benzenesulfonyl)-N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]propanamide (PubChem CID 121137869) has the molecular formula C17H24N6O3S and a molecular weight of 392.49 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]propanamide
PubChem CID121137869
Molecular FormulaC17H24N6O3S
Molecular Weight392.49 g/mol
Exact Mass392.16
IUPAC Name3-(benzenesulfonyl)-N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]propanamide
SMILESCN(C)c1nc(CNC(=O)CCS(=O)(=O)c2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C17H24N6O3S/c1-22(2)16-19-14(20-17(21-16)23(3)4)12-18-15(24)10-11-27(25,26)13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3,(H,18,24)
InChIKeyNYMSRWDWWJLZJX-UHFFFAOYSA-N
XLogP0.48
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(benzenesulfonyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
CID 121122775
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(2-chlorophenyl)acetamide
CID 121137847
3-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)propanamide
CID 17310054
N-(2-amino-2-oxoethyl)-3-(benzenesulfonyl)propanamide
CID 9295458
methyl 3-[3-(benzenesulfonyl)propanoylamino]propanoate
CID 60628934
3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride
CID 90483049
[2-[[3-(benzenesulfonyl)propanoylamino]methyl]phenyl]methyl-diethylazanium
CID 9073381
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 122253969
3-(benzenesulfonyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide
CID 8969170
3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]propanamide;hydrochloride
CID 90483046
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide
CID 115703740

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]propanamide (CID 121137869) is 3-(benzenesulfonyl)-N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]propanamide is CN(C)c1nc(CNC(=O)CCS(=O)(=O)c2ccccc2)nc(N(C)C)n1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]propanamide?
The InChIKey is NYMSRWDWWJLZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3S/c1-22(2)16-19-14(20-17(21-16)23(3)4)12-18-15(24)10-11-27(25,26)13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3,(H,18,24).
What are the key properties of 3-(benzenesulfonyl)-N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]propanamide?
3-(benzenesulfonyl)-N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]propanamide has a molecular weight of 392.49 g/mol, XLogP of 0.48, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]propanamide is sourced from PubChem (CID 121137869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).