N-[[3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]aniline

C18H21N3S — CID 169381897

IUPACN-[[3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]aniline
SMILESC(=NNc1ccccc1)c1cccc(CN2CCSCC2)c1
InChIInChI=1S/C18H21N3S/c1-2-7-18(8-3-1)20-19-14-16-5-4-6-17(13-16)15-21-9-11-22-12-10-21/h1-8,13-14,20H,9-12,15H2
InChIKeyIWIZZKBGACLJNG-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.68
Rot. Bonds5

About N-[[3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]aniline

N-[[3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]aniline (PubChem CID 169381897) has the molecular formula C18H21N3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[[3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]aniline
PubChem CID169381897
Molecular FormulaC18H21N3S
Molecular Weight311.45 g/mol
Exact Mass311.15
IUPAC NameN-[[3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]aniline
SMILESC(=NNc1ccccc1)c1cccc(CN2CCSCC2)c1
InChIInChI=1S/C18H21N3S/c1-2-7-18(8-3-1)20-19-14-16-5-4-6-17(13-16)15-21-9-11-22-12-10-21/h1-8,13-14,20H,9-12,15H2
InChIKeyIWIZZKBGACLJNG-UHFFFAOYSA-N
XLogP3.68
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylideneamino]aniline
CID 169383917
(E)-3-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 10830868
N-(4-nitrophenyl)-3-(thiomorpholin-4-ylmethyl)aniline
CID 133453938
4-methyl-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168617314
N-[3-(thiomorpholin-4-ylmethyl)phenyl]ethanesulfonamide
CID 86803114
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295
N-[[3-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]aniline
CID 169382060
[[3-(pyrrolidin-1-ylmethyl)phenyl]methylideneamino]thiourea
CID 168536231
N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline
CID 169382052
N-methyl-N-[2-oxo-2-[3-(thiomorpholin-4-ylmethyl)anilino]ethyl]benzamide
CID 49005460
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-chloroaniline
CID 8972812
[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]urea
CID 168532117

Frequently Asked Questions

What is the IUPAC name of N-[[3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]aniline?
The IUPAC name of N-[[3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]aniline (CID 169381897) is N-[[3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]aniline is C(=NNc1ccccc1)c1cccc(CN2CCSCC2)c1.
What is the InChIKey of N-[[3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]aniline?
The InChIKey is IWIZZKBGACLJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3S/c1-2-7-18(8-3-1)20-19-14-16-5-4-6-17(13-16)15-21-9-11-22-12-10-21/h1-8,13-14,20H,9-12,15H2.
What are the key properties of N-[[3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]aniline?
N-[[3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]aniline has a molecular weight of 311.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 169381897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).