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

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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).