N-[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide

C11H23N7O2S — CID 80775196

IUPACN-[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
SMILESCCCNc1nc(NCCNS(C)(=O)=O)nc(N(C)C)n1
InChIInChI=1S/C11H23N7O2S/c1-5-6-12-9-15-10(17-11(16-9)18(2)3)13-7-8-14-21(4,19)20/h14H,5-8H2,1-4H3,(H2,12,13,15,16,17)
InChIKeyHGCGIRZQKXNZNZ-UHFFFAOYSA-N
MW317.42 g/mol
LogP-0.28
Rot. Bonds9

About N-[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide

N-[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide (PubChem CID 80775196) has the molecular formula C11H23N7O2S and a molecular weight of 317.42 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
PubChem CID80775196
Molecular FormulaC11H23N7O2S
Molecular Weight317.42 g/mol
Exact Mass317.16
IUPAC NameN-[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
SMILESCCCNc1nc(NCCNS(C)(=O)=O)nc(N(C)C)n1
InChIInChI=1S/C11H23N7O2S/c1-5-6-12-9-15-10(17-11(16-9)18(2)3)13-7-8-14-21(4,19)20/h14H,5-8H2,1-4H3,(H2,12,13,15,16,17)
InChIKeyHGCGIRZQKXNZNZ-UHFFFAOYSA-N
XLogP-0.28
TPSA112.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide with MolForge

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Related Compounds

2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149
4-N-(2,2-dimethylpropyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80797913
2-N,2-N-dimethyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 90159200
2-N,2-N-dimethyl-4-N-(2-methylpropyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80770907
2-N,2-N-dimethyl-6-(2-methylsulfonylethylsulfanyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80882836
N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 62870440
N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 64831444
5-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106138250
N-[2-[[4-[2-(diethylamino)ethylamino]-6-[2-(ethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
CID 176734873
2-N-ethyl-4-N,4-N-dimethyl-2-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
CID 80774261
2-N-[2-(dimethylamino)ethyl]-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80845861
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylethanesulfonamide
CID 106343446

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide (CID 80775196) is N-[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide is CCCNc1nc(NCCNS(C)(=O)=O)nc(N(C)C)n1.
What is the InChIKey of N-[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide?
The InChIKey is HGCGIRZQKXNZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N7O2S/c1-5-6-12-9-15-10(17-11(16-9)18(2)3)13-7-8-14-21(4,19)20/h14H,5-8H2,1-4H3,(H2,12,13,15,16,17).
What are the key properties of N-[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide?
N-[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide has a molecular weight of 317.42 g/mol, XLogP of -0.28, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 80775196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).