1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-N-propan-2-ylpyrrolidine-3-sulfonamide

C15H28N6O2S — CID 133421488

IUPAC1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-N-propan-2-ylpyrrolidine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)C1CCN(c2nc(C(C)C)nc(N(C)C)n2)C1
InChIInChI=1S/C15H28N6O2S/c1-10(2)13-16-14(20(5)6)18-15(17-13)21-8-7-12(9-21)24(22,23)19-11(3)4/h10-12,19H,7-9H2,1-6H3
InChIKeyDPPNBVXSYHLPRZ-UHFFFAOYSA-N
MW356.50 g/mol
LogP0.97
Rot. Bonds6

About 1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-N-propan-2-ylpyrrolidine-3-sulfonamide

1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-N-propan-2-ylpyrrolidine-3-sulfonamide (PubChem CID 133421488) has the molecular formula C15H28N6O2S and a molecular weight of 356.50 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-N-propan-2-ylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-N-propan-2-ylpyrrolidine-3-sulfonamide
PubChem CID133421488
Molecular FormulaC15H28N6O2S
Molecular Weight356.50 g/mol
Exact Mass356.20
IUPAC Name1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-N-propan-2-ylpyrrolidine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)C1CCN(c2nc(C(C)C)nc(N(C)C)n2)C1
InChIInChI=1S/C15H28N6O2S/c1-10(2)13-16-14(20(5)6)18-15(17-13)21-8-7-12(9-21)24(22,23)19-11(3)4/h10-12,19H,7-9H2,1-6H3
InChIKeyDPPNBVXSYHLPRZ-UHFFFAOYSA-N
XLogP0.97
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-N-propan-2-ylpyrrolidine-3-sulfonamide with MolForge

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Related Compounds

4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133418859
4-(3-ethylpyrrolidin-1-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133419484
4-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133421235
4-(1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133421718
4-[4-(cyclopentylmethoxy)piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133419124
N,N-dimethyl-4-propan-2-yl-6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,5-triazin-2-amine
CID 133421563
2-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 133420780
4-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133418852
[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
CID 133420809
4-[(4aS,7aS)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 167830308
N,N-dimethyl-4-propan-2-yl-6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 133432465
4-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133419746

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-N-propan-2-ylpyrrolidine-3-sulfonamide?
The IUPAC name of 1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-N-propan-2-ylpyrrolidine-3-sulfonamide (CID 133421488) is 1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-N-propan-2-ylpyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-N-propan-2-ylpyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-N-propan-2-ylpyrrolidine-3-sulfonamide is CC(C)NS(=O)(=O)C1CCN(c2nc(C(C)C)nc(N(C)C)n2)C1.
What is the InChIKey of 1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-N-propan-2-ylpyrrolidine-3-sulfonamide?
The InChIKey is DPPNBVXSYHLPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6O2S/c1-10(2)13-16-14(20(5)6)18-15(17-13)21-8-7-12(9-21)24(22,23)19-11(3)4/h10-12,19H,7-9H2,1-6H3.
What are the key properties of 1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-N-propan-2-ylpyrrolidine-3-sulfonamide?
1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-N-propan-2-ylpyrrolidine-3-sulfonamide has a molecular weight of 356.50 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-N-propan-2-ylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 133421488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).