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

C10H18N4O4S — CID 119099609

IUPACN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1nc(OC)nc(OC)n1
InChIInChI=1S/C10H18N4O4S/c1-4-5-6-19(15,16)11-7-8-12-9(17-2)14-10(13-8)18-3/h11H,4-7H2,1-3H3
InChIKeyTYVUNPYVSCFQDN-UHFFFAOYSA-N
MW290.34 g/mol
LogP0.11
Rot. Bonds8

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

N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide (PubChem CID 119099609) has the molecular formula C10H18N4O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide
PubChem CID119099609
Molecular FormulaC10H18N4O4S
Molecular Weight290.34 g/mol
Exact Mass290.10
IUPAC NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1nc(OC)nc(OC)n1
InChIInChI=1S/C10H18N4O4S/c1-4-5-6-19(15,16)11-7-8-12-9(17-2)14-10(13-8)18-3/h11H,4-7H2,1-3H3
InChIKeyTYVUNPYVSCFQDN-UHFFFAOYSA-N
XLogP0.11
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide (CID 119099609) is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1nc(OC)nc(OC)n1.
What is the InChIKey of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide?
The InChIKey is TYVUNPYVSCFQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S/c1-4-5-6-19(15,16)11-7-8-12-9(17-2)14-10(13-8)18-3/h11H,4-7H2,1-3H3.
What are the key properties of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide?
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide has a molecular weight of 290.34 g/mol, XLogP of 0.11, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 119099609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).