N-(2,3-dihydro-1-benzofuran-3-yl)-4,6-dimethyl-1,3-thiazinan-2-imine

C14H18N2OS — CID 136755420

IUPACN-(2,3-dihydro-1-benzofuran-3-yl)-4,6-dimethyl-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\C2COc3ccccc32)N1
InChIInChI=1S/C14H18N2OS/c1-9-7-10(2)18-14(15-9)16-12-8-17-13-6-4-3-5-11(12)13/h3-6,9-10,12H,7-8H2,1-2H3,(H,15,16)
InChIKeySJWIXZIZLPBFJJ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.98
Rot. Bonds1

About N-(2,3-dihydro-1-benzofuran-3-yl)-4,6-dimethyl-1,3-thiazinan-2-imine

N-(2,3-dihydro-1-benzofuran-3-yl)-4,6-dimethyl-1,3-thiazinan-2-imine (PubChem CID 136755420) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-yl)-4,6-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-yl)-4,6-dimethyl-1,3-thiazinan-2-imine
PubChem CID136755420
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-yl)-4,6-dimethyl-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\C2COc3ccccc32)N1
InChIInChI=1S/C14H18N2OS/c1-9-7-10(2)18-14(15-9)16-12-8-17-13-6-4-3-5-11(12)13/h3-6,9-10,12H,7-8H2,1-2H3,(H,15,16)
InChIKeySJWIXZIZLPBFJJ-UHFFFAOYSA-N
XLogP2.98
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S,4aR)-4-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine
CID 57149201
3-iodo-2,3-dihydro-1-benzofuran
CID 154708354
(3S)-3-tert-butyl-2,3-dihydro-1-benzofuran
CID 129157836
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
5-methyl-2,3,4,5-tetrahydro-1-benzoxepin-3-amine
CID 142226246
(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119030525
(4aR,10bS)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine;hydrochloride
CID 175798216
3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
CID 90924294
N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)azetidin-3-amine
CID 113422694
N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine
CID 45088771
N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755277
N-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methoxyethyl)-4-phenyl-1,3-thiazol-2-imine
CID 25165606

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-4,6-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-4,6-dimethyl-1,3-thiazinan-2-imine (CID 136755420) is N-(2,3-dihydro-1-benzofuran-3-yl)-4,6-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-yl)-4,6-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-yl)-4,6-dimethyl-1,3-thiazinan-2-imine is CC1CC(C)S/C(=N\C2COc3ccccc32)N1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-yl)-4,6-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is SJWIXZIZLPBFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-7-10(2)18-14(15-9)16-12-8-17-13-6-4-3-5-11(12)13/h3-6,9-10,12H,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-yl)-4,6-dimethyl-1,3-thiazinan-2-imine?
N-(2,3-dihydro-1-benzofuran-3-yl)-4,6-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 262.38 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-yl)-4,6-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136755420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).