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

C13H25N3OS — CID 113410833

IUPACN-tert-butyl-3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide
SMILESCC1(C)CN=C(NCCC(=O)NC(C)(C)C)SC1
InChIInChI=1S/C13H25N3OS/c1-12(2,3)16-10(17)6-7-14-11-15-8-13(4,5)9-18-11/h6-9H2,1-5H3,(H,14,15)(H,16,17)
InChIKeyTWFSJQLOFPJFBL-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.01
Rot. Bonds3

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

N-tert-butyl-3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide (PubChem CID 113410833) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-tert-butyl-3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide
PubChem CID113410833
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC NameN-tert-butyl-3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide
SMILESCC1(C)CN=C(NCCC(=O)NC(C)(C)C)SC1
InChIInChI=1S/C13H25N3OS/c1-12(2,3)16-10(17)6-7-14-11-15-8-13(4,5)9-18-11/h6-9H2,1-5H3,(H,14,15)(H,16,17)
InChIKeyTWFSJQLOFPJFBL-UHFFFAOYSA-N
XLogP2.01
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide?
The IUPAC name of N-tert-butyl-3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide (CID 113410833) is N-tert-butyl-3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide?
The canonical SMILES for N-tert-butyl-3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide is CC1(C)CN=C(NCCC(=O)NC(C)(C)C)SC1.
What is the InChIKey of N-tert-butyl-3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide?
The InChIKey is TWFSJQLOFPJFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-12(2,3)16-10(17)6-7-14-11-15-8-13(4,5)9-18-11/h6-9H2,1-5H3,(H,14,15)(H,16,17).
What are the key properties of N-tert-butyl-3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide?
N-tert-butyl-3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide has a molecular weight of 271.43 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide is sourced from PubChem (CID 113410833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).