[5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine

C10H14ClN3O2S — CID 62286351

IUPAC[5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
SMILESNCc1cnc(N2CCS(=O)(=O)CC2)c(Cl)c1
InChIInChI=1S/C10H14ClN3O2S/c11-9-5-8(6-12)7-13-10(9)14-1-3-17(15,16)4-2-14/h5,7H,1-4,6,12H2
InChIKeyXPNSGHHDFAMLAG-UHFFFAOYSA-N
MW275.76 g/mol
LogP0.43
Rot. Bonds2

About [5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine

[5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine (PubChem CID 62286351) 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)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
PubChem CID62286351
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name[5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
SMILESNCc1cnc(N2CCS(=O)(=O)CC2)c(Cl)c1
InChIInChI=1S/C10H14ClN3O2S/c11-9-5-8(6-12)7-13-10(9)14-1-3-17(15,16)4-2-14/h5,7H,1-4,6,12H2
InChIKeyXPNSGHHDFAMLAG-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine?
The IUPAC name of [5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine (CID 62286351) is [5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine is NCc1cnc(N2CCS(=O)(=O)CC2)c(Cl)c1.
What is the InChIKey of [5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine?
The InChIKey is XPNSGHHDFAMLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c11-9-5-8(6-12)7-13-10(9)14-1-3-17(15,16)4-2-14/h5,7H,1-4,6,12H2.
What are the key properties of [5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine?
[5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine has a molecular weight of 275.76 g/mol, XLogP of 0.43, 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)-3-pyridinyl]methanamine is sourced from PubChem (CID 62286351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).