N-methyl-4-[(spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-ylideneamino)methyl]aniline

C20H24N4S — CID 137104942

IUPACN-methyl-4-[(spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-ylideneamino)methyl]aniline
SMILESCNc1ccc(C/N=C2\Nc3ccccc3NC23CCSCC3)cc1
InChIInChI=1S/C20H24N4S/c1-21-16-8-6-15(7-9-16)14-22-19-20(10-12-25-13-11-20)24-18-5-3-2-4-17(18)23-19/h2-9,21,24H,10-14H2,1H3,(H,22,23)
InChIKeyMBVVVRYHKSBTOD-UHFFFAOYSA-N
MW352.51 g/mol
LogP4.43
Rot. Bonds3

About N-methyl-4-[(spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-ylideneamino)methyl]aniline

N-methyl-4-[(spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-ylideneamino)methyl]aniline (PubChem CID 137104942) has the molecular formula C20H24N4S and a molecular weight of 352.51 g/mol. Its IUPAC name is N-methyl-4-[(spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-ylideneamino)methyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[(spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-ylideneamino)methyl]aniline
PubChem CID137104942
Molecular FormulaC20H24N4S
Molecular Weight352.51 g/mol
Exact Mass352.17
IUPAC NameN-methyl-4-[(spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-ylideneamino)methyl]aniline
SMILESCNc1ccc(C/N=C2\Nc3ccccc3NC23CCSCC3)cc1
InChIInChI=1S/C20H24N4S/c1-21-16-8-6-15(7-9-16)14-22-19-20(10-12-25-13-11-20)24-18-5-3-2-4-17(18)23-19/h2-9,21,24H,10-14H2,1H3,(H,22,23)
InChIKeyMBVVVRYHKSBTOD-UHFFFAOYSA-N
XLogP4.43
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137030790
N-[[4-(methoxymethyl)phenyl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137104959
N-[(4-pyrrolidin-1-ylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137104744
N-[(3-bromo-4-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137104978
N-[(3-methylsulfonylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137104969
N-[(2-propan-2-ylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137138361
N-[(3-phenoxyphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137104951
N-[(4-bromophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137105248
N-[(4-tert-butylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
CID 137105507
N-[(4-methoxyphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 135891231
3-benzyliminospiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-amine;ethane
CID 145079364
N-[(2,4-dichloro-5-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137104968

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-ylideneamino)methyl]aniline?
The IUPAC name of N-methyl-4-[(spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-ylideneamino)methyl]aniline (CID 137104942) is N-methyl-4-[(spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-ylideneamino)methyl]aniline.
What is the SMILES notation for N-methyl-4-[(spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-ylideneamino)methyl]aniline?
The canonical SMILES for N-methyl-4-[(spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-ylideneamino)methyl]aniline is CNc1ccc(C/N=C2\Nc3ccccc3NC23CCSCC3)cc1.
What is the InChIKey of N-methyl-4-[(spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-ylideneamino)methyl]aniline?
The InChIKey is MBVVVRYHKSBTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4S/c1-21-16-8-6-15(7-9-16)14-22-19-20(10-12-25-13-11-20)24-18-5-3-2-4-17(18)23-19/h2-9,21,24H,10-14H2,1H3,(H,22,23).
What are the key properties of N-methyl-4-[(spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-ylideneamino)methyl]aniline?
N-methyl-4-[(spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-ylideneamino)methyl]aniline has a molecular weight of 352.51 g/mol, XLogP of 4.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-ylideneamino)methyl]aniline is sourced from PubChem (CID 137104942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).