4-chloro-N-(1,1-dioxothian-3-yl)-6-propoxy-1,3,5-triazin-2-amine

C11H17ClN4O3S — CID 63924174

IUPAC4-chloro-N-(1,1-dioxothian-3-yl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NC2CCCS(=O)(=O)C2)n1
InChIInChI=1S/C11H17ClN4O3S/c1-2-5-19-11-15-9(12)14-10(16-11)13-8-4-3-6-20(17,18)7-8/h8H,2-7H2,1H3,(H,13,14,15,16)
InChIKeyYBJWHMYUMKPPEC-UHFFFAOYSA-N
MW320.80 g/mol
LogP1.30
Rot. Bonds5

About 4-chloro-N-(1,1-dioxothian-3-yl)-6-propoxy-1,3,5-triazin-2-amine

4-chloro-N-(1,1-dioxothian-3-yl)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 63924174) has the molecular formula C11H17ClN4O3S and a molecular weight of 320.80 g/mol. Its IUPAC name is 4-chloro-N-(1,1-dioxothian-3-yl)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(1,1-dioxothian-3-yl)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID63924174
Molecular FormulaC11H17ClN4O3S
Molecular Weight320.80 g/mol
Exact Mass320.07
IUPAC Name4-chloro-N-(1,1-dioxothian-3-yl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NC2CCCS(=O)(=O)C2)n1
InChIInChI=1S/C11H17ClN4O3S/c1-2-5-19-11-15-9(12)14-10(16-11)13-8-4-3-6-20(17,18)7-8/h8H,2-7H2,1H3,(H,13,14,15,16)
InChIKeyYBJWHMYUMKPPEC-UHFFFAOYSA-N
XLogP1.30
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine
CID 55124107
4-chloro-N-(1-methylpiperidin-3-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 62864239
4-chloro-N-(1,1-dioxothian-4-yl)-6-ethoxy-1,3,5-triazin-2-amine
CID 62857056
4-chloro-N-(3-ethylcyclohexyl)-6-propoxy-1,3,5-triazin-2-amine
CID 64742173
4-chloro-N-(1,1-dioxothian-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 63924542
4-chloro-6-ethoxy-N-(4-methylcycloheptyl)-1,3,5-triazin-2-amine
CID 114101541
4-chloro-N-(dicyclopropylmethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62865328
4-chloro-N-(1,1-dioxothian-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63924548
2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80771583
4-chloro-6-ethoxy-N-(3-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 55124366
4-chloro-N-(1,1-dioxothian-4-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62865280
3,5-dichloro-6-N-(1,1-dioxothian-3-yl)-2-N-ethylpyridine-2,6-diamine
CID 102758408

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,1-dioxothian-3-yl)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(1,1-dioxothian-3-yl)-6-propoxy-1,3,5-triazin-2-amine (CID 63924174) is 4-chloro-N-(1,1-dioxothian-3-yl)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(1,1-dioxothian-3-yl)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(1,1-dioxothian-3-yl)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(NC2CCCS(=O)(=O)C2)n1.
What is the InChIKey of 4-chloro-N-(1,1-dioxothian-3-yl)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is YBJWHMYUMKPPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O3S/c1-2-5-19-11-15-9(12)14-10(16-11)13-8-4-3-6-20(17,18)7-8/h8H,2-7H2,1H3,(H,13,14,15,16).
What are the key properties of 4-chloro-N-(1,1-dioxothian-3-yl)-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N-(1,1-dioxothian-3-yl)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 320.80 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,1-dioxothian-3-yl)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 63924174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).