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

C13H22N6O3S — CID 121138120

IUPACN-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]cyclopropanesulfonamide
SMILESCN(C)c1nc(CNS(=O)(=O)C2CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H22N6O3S/c1-18(2)12-15-11(9-14-23(20,21)10-3-4-10)16-13(17-12)19-5-7-22-8-6-19/h10,14H,3-9H2,1-2H3
InChIKeyFMRCLOKWAXXBKZ-UHFFFAOYSA-N
MW342.43 g/mol
LogP-0.64
Rot. Bonds6

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

N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]cyclopropanesulfonamide (PubChem CID 121138120) has the molecular formula C13H22N6O3S and a molecular weight of 342.43 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]cyclopropanesulfonamide
PubChem CID121138120
Molecular FormulaC13H22N6O3S
Molecular Weight342.43 g/mol
Exact Mass342.15
IUPAC NameN-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]cyclopropanesulfonamide
SMILESCN(C)c1nc(CNS(=O)(=O)C2CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H22N6O3S/c1-18(2)12-15-11(9-14-23(20,21)10-3-4-10)16-13(17-12)19-5-7-22-8-6-19/h10,14H,3-9H2,1-2H3
InChIKeyFMRCLOKWAXXBKZ-UHFFFAOYSA-N
XLogP-0.64
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]cyclopropanesulfonamide (CID 121138120) is N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]cyclopropanesulfonamide is CN(C)c1nc(CNS(=O)(=O)C2CC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]cyclopropanesulfonamide?
The InChIKey is FMRCLOKWAXXBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O3S/c1-18(2)12-15-11(9-14-23(20,21)10-3-4-10)16-13(17-12)19-5-7-22-8-6-19/h10,14H,3-9H2,1-2H3.
What are the key properties of N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]cyclopropanesulfonamide?
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]cyclopropanesulfonamide has a molecular weight of 342.43 g/mol, XLogP of -0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 121138120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).