[4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpiperidin-4-yl]methanamine

C11H23N3O2S — CID 43581345

IUPAC[4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpiperidin-4-yl]methanamine
SMILESCN1CCC(CN)(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C11H23N3O2S/c1-13-4-2-11(10-12,3-5-13)14-6-8-17(15,16)9-7-14/h2-10,12H2,1H3
InChIKeyWTLXKRNNJZVUPF-UHFFFAOYSA-N
MW261.39 g/mol
LogP-0.86
Rot. Bonds2

About [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpiperidin-4-yl]methanamine

[4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpiperidin-4-yl]methanamine (PubChem CID 43581345) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpiperidin-4-yl]methanamine
PubChem CID43581345
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name[4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpiperidin-4-yl]methanamine
SMILESCN1CCC(CN)(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C11H23N3O2S/c1-13-4-2-11(10-12,3-5-13)14-6-8-17(15,16)9-7-14/h2-10,12H2,1H3
InChIKeyWTLXKRNNJZVUPF-UHFFFAOYSA-N
XLogP-0.86
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpiperidin-4-yl]methanamine?
The IUPAC name of [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpiperidin-4-yl]methanamine (CID 43581345) is [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpiperidin-4-yl]methanamine.
What is the SMILES notation for [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpiperidin-4-yl]methanamine?
The canonical SMILES for [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpiperidin-4-yl]methanamine is CN1CCC(CN)(N2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpiperidin-4-yl]methanamine?
The InChIKey is WTLXKRNNJZVUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-13-4-2-11(10-12,3-5-13)14-6-8-17(15,16)9-7-14/h2-10,12H2,1H3.
What are the key properties of [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpiperidin-4-yl]methanamine?
[4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpiperidin-4-yl]methanamine has a molecular weight of 261.39 g/mol, XLogP of -0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpiperidin-4-yl]methanamine is sourced from PubChem (CID 43581345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).