[3-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanamine

C10H14ClN3O2S — CID 55054497

IUPAC[3-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanamine
SMILESNCc1nc(N2CCS(=O)(=O)CC2)ccc1Cl
InChIInChI=1S/C10H14ClN3O2S/c11-8-1-2-10(13-9(8)7-12)14-3-5-17(15,16)6-4-14/h1-2H,3-7,12H2
InChIKeyIWYOSJHMGSDIBV-UHFFFAOYSA-N
MW275.76 g/mol
LogP0.43
Rot. Bonds2

About [3-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanamine

[3-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanamine (PubChem CID 55054497) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is [3-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanamine
PubChem CID55054497
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name[3-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanamine
SMILESNCc1nc(N2CCS(=O)(=O)CC2)ccc1Cl
InChIInChI=1S/C10H14ClN3O2S/c11-8-1-2-10(13-9(8)7-12)14-3-5-17(15,16)6-4-14/h1-2H,3-7,12H2
InChIKeyIWYOSJHMGSDIBV-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

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanamine?
The IUPAC name of [3-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanamine (CID 55054497) is [3-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanamine is NCc1nc(N2CCS(=O)(=O)CC2)ccc1Cl.
What is the InChIKey of [3-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanamine?
The InChIKey is IWYOSJHMGSDIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c11-8-1-2-10(13-9(8)7-12)14-3-5-17(15,16)6-4-14/h1-2H,3-7,12H2.
What are the key properties of [3-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanamine?
[3-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-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 [3-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 55054497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).