N-[1-(furan-2-yl)propan-2-yl]-4,4-dimethyl-1,3-thiazinan-2-imine

C13H20N2OS — CID 136992147

IUPACN-[1-(furan-2-yl)propan-2-yl]-4,4-dimethyl-1,3-thiazinan-2-imine
SMILESCC(Cc1ccco1)/N=C1/NC(C)(C)CCS1
InChIInChI=1S/C13H20N2OS/c1-10(9-11-5-4-7-16-11)14-12-15-13(2,3)6-8-17-12/h4-5,7,10H,6,8-9H2,1-3H3,(H,14,15)
InChIKeyAPVJPIICCUWKSC-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.07
Rot. Bonds3

About N-[1-(furan-2-yl)propan-2-yl]-4,4-dimethyl-1,3-thiazinan-2-imine

N-[1-(furan-2-yl)propan-2-yl]-4,4-dimethyl-1,3-thiazinan-2-imine (PubChem CID 136992147) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-4,4-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-4,4-dimethyl-1,3-thiazinan-2-imine
PubChem CID136992147
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-4,4-dimethyl-1,3-thiazinan-2-imine
SMILESCC(Cc1ccco1)/N=C1/NC(C)(C)CCS1
InChIInChI=1S/C13H20N2OS/c1-10(9-11-5-4-7-16-11)14-12-15-13(2,3)6-8-17-12/h4-5,7,10H,6,8-9H2,1-3H3,(H,14,15)
InChIKeyAPVJPIICCUWKSC-UHFFFAOYSA-N
XLogP3.07
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[1-(furan-2-yl)propan-2-yl]-4,4-dimethyl-1,3-thiazinan-2-imine with MolForge

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Related Compounds

4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione
CID 63789266
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CID 83182565
1-(furan-2-yl)-N-[1-(1-methylcyclopropyl)ethyl]propan-2-amine
CID 43693033
1-(furan-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine
CID 63142842
2-(furan-2-yl)-1-(1-methylcyclopentyl)ethanol
CID 115830206
N-(furan-2-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871639
11-[1-(furan-2-yl)propan-2-yl]-7,11-diazaspiro[5.6]dodecane
CID 64942841
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
2-(2-nitropropyl)furan
CID 14929135
N'-[1-(furan-2-yl)propan-2-yl]butanimidamide
CID 63176856
2-(furan-2-yl)-1-(4-methylthiophen-3-yl)ethanol
CID 83175177
1-[1-(furan-2-yl)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65060718

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-4,4-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-4,4-dimethyl-1,3-thiazinan-2-imine (CID 136992147) is N-[1-(furan-2-yl)propan-2-yl]-4,4-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-4,4-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-4,4-dimethyl-1,3-thiazinan-2-imine is CC(Cc1ccco1)/N=C1/NC(C)(C)CCS1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-4,4-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is APVJPIICCUWKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10(9-11-5-4-7-16-11)14-12-15-13(2,3)6-8-17-12/h4-5,7,10H,6,8-9H2,1-3H3,(H,14,15).
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-4,4-dimethyl-1,3-thiazinan-2-imine?
N-[1-(furan-2-yl)propan-2-yl]-4,4-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 252.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-4,4-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136992147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).