N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide

C14H26N6O2S — CID 119099661

IUPACN-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1nc(N(C)C)nc(N2CCCC2)n1
InChIInChI=1S/C14H26N6O2S/c1-4-5-10-23(21,22)15-11-12-16-13(19(2)3)18-14(17-12)20-8-6-7-9-20/h15H,4-11H2,1-3H3
InChIKeyQJKODXMUZVLZQG-UHFFFAOYSA-N
MW342.47 g/mol
LogP0.76
Rot. Bonds8

About N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide

N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide (PubChem CID 119099661) has the molecular formula C14H26N6O2S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide
PubChem CID119099661
Molecular FormulaC14H26N6O2S
Molecular Weight342.47 g/mol
Exact Mass342.18
IUPAC NameN-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1nc(N(C)C)nc(N2CCCC2)n1
InChIInChI=1S/C14H26N6O2S/c1-4-5-10-23(21,22)15-11-12-16-13(19(2)3)18-14(17-12)20-8-6-7-9-20/h15H,4-11H2,1-3H3
InChIKeyQJKODXMUZVLZQG-UHFFFAOYSA-N
XLogP0.76
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide?
The IUPAC name of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide (CID 119099661) is N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1nc(N(C)C)nc(N2CCCC2)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide?
The InChIKey is QJKODXMUZVLZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O2S/c1-4-5-10-23(21,22)15-11-12-16-13(19(2)3)18-14(17-12)20-8-6-7-9-20/h15H,4-11H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide?
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide has a molecular weight of 342.47 g/mol, XLogP of 0.76, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide is sourced from PubChem (CID 119099661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).