5-chloro-6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine

C10H14ClN3O2S — CID 62892346

IUPAC5-chloro-6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
SMILESNc1ccc(Cl)c(CN2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C10H14ClN3O2S/c11-8-1-2-10(12)13-9(8)7-14-3-5-17(15,16)6-4-14/h1-2H,3-7H2,(H2,12,13)
InChIKeyPNIWUVNJDZGQCW-UHFFFAOYSA-N
MW275.76 g/mol
LogP0.55
Rot. Bonds2

About 5-chloro-6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine

5-chloro-6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine (PubChem CID 62892346) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is 5-chloro-6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
PubChem CID62892346
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name5-chloro-6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
SMILESNc1ccc(Cl)c(CN2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C10H14ClN3O2S/c11-8-1-2-10(12)13-9(8)7-14-3-5-17(15,16)6-4-14/h1-2H,3-7H2,(H2,12,13)
InChIKeyPNIWUVNJDZGQCW-UHFFFAOYSA-N
XLogP0.55
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine (CID 62892346) is 5-chloro-6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine is Nc1ccc(Cl)c(CN2CCS(=O)(=O)CC2)n1.
What is the InChIKey of 5-chloro-6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine?
The InChIKey is PNIWUVNJDZGQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c11-8-1-2-10(12)13-9(8)7-14-3-5-17(15,16)6-4-14/h1-2H,3-7H2,(H2,12,13).
What are the key properties of 5-chloro-6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine?
5-chloro-6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine has a molecular weight of 275.76 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 62892346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).