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

C9H17N3OS — CID 115361264

IUPAC3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide
SMILESCC1(C)CN=C(NCCC(N)=O)SC1
InChIInChI=1S/C9H17N3OS/c1-9(2)5-12-8(14-6-9)11-4-3-7(10)13/h3-6H2,1-2H3,(H2,10,13)(H,11,12)
InChIKeyYOJAQCLRJSJPAQ-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.58
Rot. Bonds3

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

3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide (PubChem CID 115361264) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide
PubChem CID115361264
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide
SMILESCC1(C)CN=C(NCCC(N)=O)SC1
InChIInChI=1S/C9H17N3OS/c1-9(2)5-12-8(14-6-9)11-4-3-7(10)13/h3-6H2,1-2H3,(H2,10,13)(H,11,12)
InChIKeyYOJAQCLRJSJPAQ-UHFFFAOYSA-N
XLogP0.58
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.58
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]propanamide?
The IUPAC name of 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide (CID 115361264) is 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide.
What is the SMILES notation for 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide?
The canonical SMILES for 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide is CC1(C)CN=C(NCCC(N)=O)SC1.
What is the InChIKey of 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide?
The InChIKey is YOJAQCLRJSJPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-9(2)5-12-8(14-6-9)11-4-3-7(10)13/h3-6H2,1-2H3,(H2,10,13)(H,11,12).
What are the key properties of 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide?
3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide has a molecular weight of 215.32 g/mol, XLogP of 0.58, 3 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]propanamide is sourced from PubChem (CID 115361264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).