3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide

C13H25N3OS — CID 113410836

IUPAC3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCNC1=NCC(C)(C)CS1
InChIInChI=1S/C13H25N3OS/c1-10(2)7-15-11(17)5-6-14-12-16-8-13(3,4)9-18-12/h10H,5-9H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyCPVATPYYSOJNSZ-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.87
Rot. Bonds5

About 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide

3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 113410836) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide
PubChem CID113410836
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCNC1=NCC(C)(C)CS1
InChIInChI=1S/C13H25N3OS/c1-10(2)7-15-11(17)5-6-14-12-16-8-13(3,4)9-18-12/h10H,5-9H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyCPVATPYYSOJNSZ-UHFFFAOYSA-N
XLogP1.87
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide (CID 113410836) is 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CCNC1=NCC(C)(C)CS1.
What is the InChIKey of 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is CPVATPYYSOJNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-10(2)7-15-11(17)5-6-14-12-16-8-13(3,4)9-18-12/h10H,5-9H2,1-4H3,(H,14,16)(H,15,17).
What are the key properties of 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide?
3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 271.43 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 113410836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).