N-(2-methyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C9H16N2OS — CID 82729287

IUPACN-(2-methyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1OCCC1NC1=NCCCS1
InChIInChI=1S/C9H16N2OS/c1-7-8(3-5-12-7)11-9-10-4-2-6-13-9/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyBJSSXUVHOPRYEB-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.25
Rot. Bonds1

About N-(2-methyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(2-methyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 82729287) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is N-(2-methyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-methyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID82729287
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC NameN-(2-methyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1OCCC1NC1=NCCCS1
InChIInChI=1S/C9H16N2OS/c1-7-8(3-5-12-7)11-9-10-4-2-6-13-9/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyBJSSXUVHOPRYEB-UHFFFAOYSA-N
XLogP1.25
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2-methyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 82729287) is N-(2-methyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-methyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-methyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1OCCC1NC1=NCCCS1.
What is the InChIKey of N-(2-methyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is BJSSXUVHOPRYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-7-8(3-5-12-7)11-9-10-4-2-6-13-9/h7-8H,2-6H2,1H3,(H,10,11).
What are the key properties of N-(2-methyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2-methyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 200.31 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 82729287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).