2-(1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpropan-1-amine

C10H20N2OS — CID 62569219

IUPAC2-(1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)N1CCS(=O)CC1
InChIInChI=1S/C10H20N2OS/c1-3-4-11-9-10(2)12-5-7-14(13)8-6-12/h3,10-11H,1,4-9H2,2H3
InChIKeyQSTDYTKECOLPQF-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.21
Rot. Bonds5

About 2-(1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpropan-1-amine

2-(1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpropan-1-amine (PubChem CID 62569219) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-(1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-(1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpropan-1-amine
PubChem CID62569219
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name2-(1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)N1CCS(=O)CC1
InChIInChI=1S/C10H20N2OS/c1-3-4-11-9-10(2)12-5-7-14(13)8-6-12/h3,10-11H,1,4-9H2,2H3
InChIKeyQSTDYTKECOLPQF-UHFFFAOYSA-N
XLogP0.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-(1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpropan-1-amine (CID 62569219) is 2-(1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-(1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-(1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpropan-1-amine is C=CCNCC(C)N1CCS(=O)CC1.
What is the InChIKey of 2-(1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpropan-1-amine?
The InChIKey is QSTDYTKECOLPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-3-4-11-9-10(2)12-5-7-14(13)8-6-12/h3,10-11H,1,4-9H2,2H3.
What are the key properties of 2-(1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpropan-1-amine?
2-(1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpropan-1-amine has a molecular weight of 216.35 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 62569219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).