3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-3-methylbutanamide

C9H17N3OS — CID 106097569

IUPAC3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NC1=NCCCS1
InChIInChI=1S/C9H17N3OS/c1-9(2,6-7(10)13)12-8-11-4-3-5-14-8/h3-6H2,1-2H3,(H2,10,13)(H,11,12)
InChIKeyADRWDPXYKUAALM-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.72
Rot. Bonds3

About 3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-3-methylbutanamide

3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-3-methylbutanamide (PubChem CID 106097569) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-3-methylbutanamide.

Molecular Properties

Compound Name3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-3-methylbutanamide
PubChem CID106097569
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NC1=NCCCS1
InChIInChI=1S/C9H17N3OS/c1-9(2,6-7(10)13)12-8-11-4-3-5-14-8/h3-6H2,1-2H3,(H2,10,13)(H,11,12)
InChIKeyADRWDPXYKUAALM-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-3-methylbutanamide?
The IUPAC name of 3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-3-methylbutanamide (CID 106097569) is 3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-3-methylbutanamide.
What is the SMILES notation for 3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-3-methylbutanamide?
The canonical SMILES for 3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-3-methylbutanamide is CC(C)(CC(N)=O)NC1=NCCCS1.
What is the InChIKey of 3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-3-methylbutanamide?
The InChIKey is ADRWDPXYKUAALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-9(2,6-7(10)13)12-8-11-4-3-5-14-8/h3-6H2,1-2H3,(H2,10,13)(H,11,12).
What are the key properties of 3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-3-methylbutanamide?
3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-3-methylbutanamide has a molecular weight of 215.32 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-3-methylbutanamide is sourced from PubChem (CID 106097569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).