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

C10H20N2OS — CID 65048457

IUPACN-(1-methoxy-3-methylbutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOCC(NC1=NCCCS1)C(C)C
InChIInChI=1S/C10H20N2OS/c1-8(2)9(7-13-3)12-10-11-5-4-6-14-10/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyOPHQKNDRWWJFQR-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.74
Rot. Bonds4

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

N-(1-methoxy-3-methylbutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 65048457) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID65048457
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOCC(NC1=NCCCS1)C(C)C
InChIInChI=1S/C10H20N2OS/c1-8(2)9(7-13-3)12-10-11-5-4-6-14-10/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyOPHQKNDRWWJFQR-UHFFFAOYSA-N
XLogP1.74
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 65048457) is N-(1-methoxy-3-methylbutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is COCC(NC1=NCCCS1)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is OPHQKNDRWWJFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(2)9(7-13-3)12-10-11-5-4-6-14-10/h8-9H,4-7H2,1-3H3,(H,11,12).
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(1-methoxy-3-methylbutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 216.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 65048457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).