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

C10H21N3O2S — CID 82235994

IUPAC[3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CCC(CN)(N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C10H21N3O2S/c1-12-3-2-10(8-11,9-12)13-4-6-16(14,15)7-5-13/h2-9,11H2,1H3
InChIKeyHSYVPJILCLCELW-UHFFFAOYSA-N
MW247.36 g/mol
LogP-1.25
Rot. Bonds2

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

[3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 82235994) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is [3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID82235994
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name[3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CCC(CN)(N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C10H21N3O2S/c1-12-3-2-10(8-11,9-12)13-4-6-16(14,15)7-5-13/h2-9,11H2,1H3
InChIKeyHSYVPJILCLCELW-UHFFFAOYSA-N
XLogP-1.25
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpyrrolidin-3-yl]methanamine (CID 82235994) is [3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpyrrolidin-3-yl]methanamine is CN1CCC(CN)(N2CCS(=O)(=O)CC2)C1.
What is the InChIKey of [3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is HSYVPJILCLCELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-12-3-2-10(8-11,9-12)13-4-6-16(14,15)7-5-13/h2-9,11H2,1H3.
What are the key properties of [3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpyrrolidin-3-yl]methanamine?
[3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 247.36 g/mol, XLogP of -1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 82235994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).