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

C13H27N3O2S — CID 43581322

IUPAC[4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propylpiperidin-4-yl]methanamine
SMILESCCCN1CCC(CN)(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-2-5-15-6-3-13(12-14,4-7-15)16-8-10-19(17,18)11-9-16/h2-12,14H2,1H3
InChIKeyINFRRFJVMVPMCT-UHFFFAOYSA-N
MW289.44 g/mol
LogP-0.08
Rot. Bonds4

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

[4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propylpiperidin-4-yl]methanamine (PubChem CID 43581322) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propylpiperidin-4-yl]methanamine
PubChem CID43581322
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC Name[4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propylpiperidin-4-yl]methanamine
SMILESCCCN1CCC(CN)(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-2-5-15-6-3-13(12-14,4-7-15)16-8-10-19(17,18)11-9-16/h2-12,14H2,1H3
InChIKeyINFRRFJVMVPMCT-UHFFFAOYSA-N
XLogP-0.08
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 5-0.08
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-propylpiperidin-4-yl]methanamine?
The IUPAC name of [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propylpiperidin-4-yl]methanamine (CID 43581322) is [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propylpiperidin-4-yl]methanamine.
What is the SMILES notation for [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propylpiperidin-4-yl]methanamine?
The canonical SMILES for [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propylpiperidin-4-yl]methanamine is CCCN1CCC(CN)(N2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propylpiperidin-4-yl]methanamine?
The InChIKey is INFRRFJVMVPMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-2-5-15-6-3-13(12-14,4-7-15)16-8-10-19(17,18)11-9-16/h2-12,14H2,1H3.
What are the key properties of [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propylpiperidin-4-yl]methanamine?
[4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propylpiperidin-4-yl]methanamine has a molecular weight of 289.44 g/mol, XLogP of -0.08, 4 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-propylpiperidin-4-yl]methanamine is sourced from PubChem (CID 43581322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).