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

C10H15N3O2S — CID 43581088

IUPAC[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
SMILESNCc1ccc(N2CCS(=O)(=O)CC2)nc1
InChIInChI=1S/C10H15N3O2S/c11-7-9-1-2-10(12-8-9)13-3-5-16(14,15)6-4-13/h1-2,8H,3-7,11H2
InChIKeyZWWRDBPDHAYUSU-UHFFFAOYSA-N
MW241.32 g/mol
LogP-0.22
Rot. Bonds2

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

[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine (PubChem CID 43581088) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is [6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
PubChem CID43581088
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
SMILESNCc1ccc(N2CCS(=O)(=O)CC2)nc1
InChIInChI=1S/C10H15N3O2S/c11-7-9-1-2-10(12-8-9)13-3-5-16(14,15)6-4-13/h1-2,8H,3-7,11H2
InChIKeyZWWRDBPDHAYUSU-UHFFFAOYSA-N
XLogP-0.22
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine?
The IUPAC name of [6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine (CID 43581088) is [6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine is NCc1ccc(N2CCS(=O)(=O)CC2)nc1.
What is the InChIKey of [6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine?
The InChIKey is ZWWRDBPDHAYUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c11-7-9-1-2-10(12-8-9)13-3-5-16(14,15)6-4-13/h1-2,8H,3-7,11H2.
What are the key properties of [6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine?
[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine has a molecular weight of 241.32 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 43581088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).