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

C12H23N3OS — CID 114177287

IUPACN-(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)morpholin-4-amine
SMILESCC(C)(C)C1CCSC(NN2CCOCC2)=N1
InChIInChI=1S/C12H23N3OS/c1-12(2,3)10-4-9-17-11(13-10)14-15-5-7-16-8-6-15/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyTWGFNEVDSDFULW-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.73
Rot. Bonds1

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

N-(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)morpholin-4-amine (PubChem CID 114177287) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)morpholin-4-amine.

Molecular Properties

Compound NameN-(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)morpholin-4-amine
PubChem CID114177287
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN-(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)morpholin-4-amine
SMILESCC(C)(C)C1CCSC(NN2CCOCC2)=N1
InChIInChI=1S/C12H23N3OS/c1-12(2,3)10-4-9-17-11(13-10)14-15-5-7-16-8-6-15/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyTWGFNEVDSDFULW-UHFFFAOYSA-N
XLogP1.73
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)morpholin-4-amine?
The IUPAC name of N-(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)morpholin-4-amine (CID 114177287) is N-(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)morpholin-4-amine.
What is the SMILES notation for N-(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)morpholin-4-amine?
The canonical SMILES for N-(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)morpholin-4-amine is CC(C)(C)C1CCSC(NN2CCOCC2)=N1.
What is the InChIKey of N-(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)morpholin-4-amine?
The InChIKey is TWGFNEVDSDFULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-12(2,3)10-4-9-17-11(13-10)14-15-5-7-16-8-6-15/h10H,4-9H2,1-3H3,(H,13,14).
What are the key properties of N-(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)morpholin-4-amine?
N-(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)morpholin-4-amine has a molecular weight of 257.40 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)morpholin-4-amine is sourced from PubChem (CID 114177287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).