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

C11H21N5O3S — CID 122252947

IUPACN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1nc(OC)nc(N(C)C)n1
InChIInChI=1S/C11H21N5O3S/c1-5-6-7-20(17,18)12-8-9-13-10(16(2)3)15-11(14-9)19-4/h12H,5-8H2,1-4H3
InChIKeyGRTNSMXMDXLUPR-UHFFFAOYSA-N
MW303.39 g/mol
LogP0.17
Rot. Bonds8

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

N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide (PubChem CID 122252947) has the molecular formula C11H21N5O3S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide
PubChem CID122252947
Molecular FormulaC11H21N5O3S
Molecular Weight303.39 g/mol
Exact Mass303.14
IUPAC NameN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1nc(OC)nc(N(C)C)n1
InChIInChI=1S/C11H21N5O3S/c1-5-6-7-20(17,18)12-8-9-13-10(16(2)3)15-11(14-9)19-4/h12H,5-8H2,1-4H3
InChIKeyGRTNSMXMDXLUPR-UHFFFAOYSA-N
XLogP0.17
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 50.17
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-methoxy-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide?
The IUPAC name of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide (CID 122252947) is N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1nc(OC)nc(N(C)C)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide?
The InChIKey is GRTNSMXMDXLUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3S/c1-5-6-7-20(17,18)12-8-9-13-10(16(2)3)15-11(14-9)19-4/h12H,5-8H2,1-4H3.
What are the key properties of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide?
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide has a molecular weight of 303.39 g/mol, XLogP of 0.17, 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-methoxy-1,3,5-triazin-2-yl]methyl]butane-1-sulfonamide is sourced from PubChem (CID 122252947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).