N-[[4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine

C13H21N3OS2 — CID 63916198

IUPACN-[[4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CCS(=O)CC2)nc1C1CC1
InChIInChI=1S/C13H21N3OS2/c1-2-14-9-11-12(10-3-4-10)15-13(18-11)16-5-7-19(17)8-6-16/h10,14H,2-9H2,1H3
InChIKeyJMYSSTDKIVCGSE-UHFFFAOYSA-N
MW299.47 g/mol
LogP1.70
Rot. Bonds5

About N-[[4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 63916198) has the molecular formula C13H21N3OS2 and a molecular weight of 299.47 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID63916198
Molecular FormulaC13H21N3OS2
Molecular Weight299.47 g/mol
Exact Mass299.11
IUPAC NameN-[[4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CCS(=O)CC2)nc1C1CC1
InChIInChI=1S/C13H21N3OS2/c1-2-14-9-11-12(10-3-4-10)15-13(18-11)16-5-7-19(17)8-6-16/h10,14H,2-9H2,1H3
InChIKeyJMYSSTDKIVCGSE-UHFFFAOYSA-N
XLogP1.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.47
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 63916198) is N-[[4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(N2CCS(=O)CC2)nc1C1CC1.
What is the InChIKey of N-[[4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is JMYSSTDKIVCGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS2/c1-2-14-9-11-12(10-3-4-10)15-13(18-11)16-5-7-19(17)8-6-16/h10,14H,2-9H2,1H3.
What are the key properties of N-[[4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 299.47 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 63916198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).