2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide

C10H18ClN5O3S — CID 106341615

IUPAC2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCCCOc1nc(Cl)nc(NCCS(=O)(=O)N(C)C)n1
InChIInChI=1S/C10H18ClN5O3S/c1-4-6-19-10-14-8(11)13-9(15-10)12-5-7-20(17,18)16(2)3/h4-7H2,1-3H3,(H,12,13,14,15)
InChIKeyQECRIFBLTSDMJI-UHFFFAOYSA-N
MW323.81 g/mol
LogP0.62
Rot. Bonds8

About 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide

2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide (PubChem CID 106341615) has the molecular formula C10H18ClN5O3S and a molecular weight of 323.81 g/mol. Its IUPAC name is 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide
PubChem CID106341615
Molecular FormulaC10H18ClN5O3S
Molecular Weight323.81 g/mol
Exact Mass323.08
IUPAC Name2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCCCOc1nc(Cl)nc(NCCS(=O)(=O)N(C)C)n1
InChIInChI=1S/C10H18ClN5O3S/c1-4-6-19-10-14-8(11)13-9(15-10)12-5-7-20(17,18)16(2)3/h4-7H2,1-3H3,(H,12,13,14,15)
InChIKeyQECRIFBLTSDMJI-UHFFFAOYSA-N
XLogP0.62
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide (CID 106341615) is 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide is CCCOc1nc(Cl)nc(NCCS(=O)(=O)N(C)C)n1.
What is the InChIKey of 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide?
The InChIKey is QECRIFBLTSDMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5O3S/c1-4-6-19-10-14-8(11)13-9(15-10)12-5-7-20(17,18)16(2)3/h4-7H2,1-3H3,(H,12,13,14,15).
What are the key properties of 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide?
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide has a molecular weight of 323.81 g/mol, XLogP of 0.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106341615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).