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

C9H17N5O3S — CID 121137554

IUPACN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1nc(OC)nc(N(C)C)n1
InChIInChI=1S/C9H17N5O3S/c1-5-18(15,16)10-6-7-11-8(14(2)3)13-9(12-7)17-4/h10H,5-6H2,1-4H3
InChIKeyWZZZRGAEXDKAPK-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.61
Rot. Bonds6

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

N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]ethanesulfonamide (PubChem CID 121137554) has the molecular formula C9H17N5O3S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]ethanesulfonamide
PubChem CID121137554
Molecular FormulaC9H17N5O3S
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC NameN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1nc(OC)nc(N(C)C)n1
InChIInChI=1S/C9H17N5O3S/c1-5-18(15,16)10-6-7-11-8(14(2)3)13-9(12-7)17-4/h10H,5-6H2,1-4H3
InChIKeyWZZZRGAEXDKAPK-UHFFFAOYSA-N
XLogP-0.61
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-{[4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]methyl}methanesulfonamide
CID 119099627
N-((4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 121137626
N-((4,6-dimethoxy-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 122252848
3,3,3-trifluoro-N-((4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl)methyl)propane-1-sulfonamide
CID 122253361
N-((4,6-bis(dimethylamino)-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 122254129
N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide
CID 59917184
2-[[4-Amino-6-(ethylaminomethyl)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid
CID 118330499
N-[2-[[4-[2-(ethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
CID 164789034
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide
CID 119099609
N-{[4-(dimethylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]methyl}butane-1-sulfonamide
CID 119099661
N-((4-methoxy-6-morpholino-1,3,5-triazin-2-yl)methyl)butane-1-sulfonamide
CID 121016867
N-((4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl)methyl)cyclopropanesulfonamide
CID 121137619

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]ethanesulfonamide (CID 121137554) is N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]ethanesulfonamide is CCS(=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]ethanesulfonamide?
The InChIKey is WZZZRGAEXDKAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3S/c1-5-18(15,16)10-6-7-11-8(14(2)3)13-9(12-7)17-4/h10H,5-6H2,1-4H3.
What are the key properties of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]ethanesulfonamide?
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]ethanesulfonamide has a molecular weight of 275.33 g/mol, XLogP of -0.61, 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]ethanesulfonamide is sourced from PubChem (CID 121137554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).