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

C10H17N5O3S — CID 121137619

IUPACN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]cyclopropanesulfonamide
SMILESCOc1nc(CNS(=O)(=O)C2CC2)nc(N(C)C)n1
InChIInChI=1S/C10H17N5O3S/c1-15(2)9-12-8(13-10(14-9)18-3)6-11-19(16,17)7-4-5-7/h7,11H,4-6H2,1-3H3
InChIKeySYZKJXPBOAAOTD-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.47
Rot. Bonds6

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

N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]cyclopropanesulfonamide (PubChem CID 121137619) has the molecular formula C10H17N5O3S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]cyclopropanesulfonamide
PubChem CID121137619
Molecular FormulaC10H17N5O3S
Molecular Weight287.34 g/mol
Exact Mass287.11
IUPAC NameN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]cyclopropanesulfonamide
SMILESCOc1nc(CNS(=O)(=O)C2CC2)nc(N(C)C)n1
InChIInChI=1S/C10H17N5O3S/c1-15(2)9-12-8(13-10(14-9)18-3)6-11-19(16,17)7-4-5-7/h7,11H,4-6H2,1-3H3
InChIKeySYZKJXPBOAAOTD-UHFFFAOYSA-N
XLogP-0.47
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.47
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]cyclopropanesulfonamide?
The IUPAC name of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]cyclopropanesulfonamide (CID 121137619) is N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]cyclopropanesulfonamide is COc1nc(CNS(=O)(=O)C2CC2)nc(N(C)C)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]cyclopropanesulfonamide?
The InChIKey is SYZKJXPBOAAOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-15(2)9-12-8(13-10(14-9)18-3)6-11-19(16,17)7-4-5-7/h7,11H,4-6H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]cyclopropanesulfonamide?
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]cyclopropanesulfonamide has a molecular weight of 287.34 g/mol, XLogP of -0.47, 6 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]cyclopropanesulfonamide is sourced from PubChem (CID 121137619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).