3-(1-oxo-1,4-thiazinan-4-yl)-N-propan-2-ylprop-1-en-2-amine

C10H20N2OS — CID 138526909

IUPAC3-(1-oxo-1,4-thiazinan-4-yl)-N-propan-2-ylprop-1-en-2-amine
SMILESC=C(CN1CCS(=O)CC1)NC(C)C
InChIInChI=1S/C10H20N2OS/c1-9(2)11-10(3)8-12-4-6-14(13)7-5-12/h9,11H,3-8H2,1-2H3
InChIKeyJXHFQHLELYZTNN-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.56
Rot. Bonds4

About 3-(1-oxo-1,4-thiazinan-4-yl)-N-propan-2-ylprop-1-en-2-amine

3-(1-oxo-1,4-thiazinan-4-yl)-N-propan-2-ylprop-1-en-2-amine (PubChem CID 138526909) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 3-(1-oxo-1,4-thiazinan-4-yl)-N-propan-2-ylprop-1-en-2-amine.

Molecular Properties

Compound Name3-(1-oxo-1,4-thiazinan-4-yl)-N-propan-2-ylprop-1-en-2-amine
PubChem CID138526909
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name3-(1-oxo-1,4-thiazinan-4-yl)-N-propan-2-ylprop-1-en-2-amine
SMILESC=C(CN1CCS(=O)CC1)NC(C)C
InChIInChI=1S/C10H20N2OS/c1-9(2)11-10(3)8-12-4-6-14(13)7-5-12/h9,11H,3-8H2,1-2H3
InChIKeyJXHFQHLELYZTNN-UHFFFAOYSA-N
XLogP0.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-oxo-1,4-thiazinan-4-yl)-N-propan-2-ylprop-1-en-2-amine?
The IUPAC name of 3-(1-oxo-1,4-thiazinan-4-yl)-N-propan-2-ylprop-1-en-2-amine (CID 138526909) is 3-(1-oxo-1,4-thiazinan-4-yl)-N-propan-2-ylprop-1-en-2-amine.
What is the SMILES notation for 3-(1-oxo-1,4-thiazinan-4-yl)-N-propan-2-ylprop-1-en-2-amine?
The canonical SMILES for 3-(1-oxo-1,4-thiazinan-4-yl)-N-propan-2-ylprop-1-en-2-amine is C=C(CN1CCS(=O)CC1)NC(C)C.
What is the InChIKey of 3-(1-oxo-1,4-thiazinan-4-yl)-N-propan-2-ylprop-1-en-2-amine?
The InChIKey is JXHFQHLELYZTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-9(2)11-10(3)8-12-4-6-14(13)7-5-12/h9,11H,3-8H2,1-2H3.
What are the key properties of 3-(1-oxo-1,4-thiazinan-4-yl)-N-propan-2-ylprop-1-en-2-amine?
3-(1-oxo-1,4-thiazinan-4-yl)-N-propan-2-ylprop-1-en-2-amine has a molecular weight of 216.35 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxo-1,4-thiazinan-4-yl)-N-propan-2-ylprop-1-en-2-amine is sourced from PubChem (CID 138526909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).