N-[4-[4-[[4-(diethylamino)phenyl]methylideneamino]phenyl]sulfanylphenyl]hydroxylamine

C23H25N3OS — CID 89343522

IUPACN-[4-[4-[[4-(diethylamino)phenyl]methylideneamino]phenyl]sulfanylphenyl]hydroxylamine
SMILESCCN(CC)c1ccc(/C=N/c2ccc(Sc3ccc(NO)cc3)cc2)cc1
InChIInChI=1S/C23H25N3OS/c1-3-26(4-2)21-11-5-18(6-12-21)17-24-19-7-13-22(14-8-19)28-23-15-9-20(25-27)10-16-23/h5-17,25,27H,3-4H2,1-2H3/b24-17+
InChIKeyKSKKIDANGRQMPU-JJIBRWJFSA-N
MW391.54 g/mol
LogP6.24
Rot. Bonds8

About N-[4-[4-[[4-(diethylamino)phenyl]methylideneamino]phenyl]sulfanylphenyl]hydroxylamine

N-[4-[4-[[4-(diethylamino)phenyl]methylideneamino]phenyl]sulfanylphenyl]hydroxylamine (PubChem CID 89343522) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is N-[4-[4-[[4-(diethylamino)phenyl]methylideneamino]phenyl]sulfanylphenyl]hydroxylamine.

Molecular Properties

Compound NameN-[4-[4-[[4-(diethylamino)phenyl]methylideneamino]phenyl]sulfanylphenyl]hydroxylamine
PubChem CID89343522
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC NameN-[4-[4-[[4-(diethylamino)phenyl]methylideneamino]phenyl]sulfanylphenyl]hydroxylamine
SMILESCCN(CC)c1ccc(/C=N/c2ccc(Sc3ccc(NO)cc3)cc2)cc1
InChIInChI=1S/C23H25N3OS/c1-3-26(4-2)21-11-5-18(6-12-21)17-24-19-7-13-22(14-8-19)28-23-15-9-20(25-27)10-16-23/h5-17,25,27H,3-4H2,1-2H3/b24-17+
InChIKeyKSKKIDANGRQMPU-JJIBRWJFSA-N
XLogP6.24
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.54
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[4-[[4-(diethylamino)phenyl]methylideneamino]phenyl]sulfonylacetamide
CID 1284363
2-[[4-[[4-(diethylamino)phenyl]methylideneamino]benzoyl]amino]acetic acid
CID 7207787
N-(4-chlorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
CID 126093434
N,N-diethyl-4-[(3-ethylphenyl)iminomethyl]aniline
CID 23848316
4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diethylaniline
CID 110506082
4-[[4-(diethylamino)phenyl]iminomethyl]-2-nitrophenol
CID 135581129
1,3-bis[[4-(diethylamino)phenyl]methylideneamino]thiourea
CID 5125504
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
N,N-diethyl-4-[[4-(2-pyren-1-ylethynyl)phenyl]iminomethyl]aniline
CID 163198843
4-[[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]iminomethyl]-N,N-diethylaniline
CID 132940991
N-[4-[4-(benzylideneamino)phenyl]sulfanylphenyl]-1-phenylmethanimine
CID 633778
N,N-diethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline
CID 1378244

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[4-(diethylamino)phenyl]methylideneamino]phenyl]sulfanylphenyl]hydroxylamine?
The IUPAC name of N-[4-[4-[[4-(diethylamino)phenyl]methylideneamino]phenyl]sulfanylphenyl]hydroxylamine (CID 89343522) is N-[4-[4-[[4-(diethylamino)phenyl]methylideneamino]phenyl]sulfanylphenyl]hydroxylamine.
What is the SMILES notation for N-[4-[4-[[4-(diethylamino)phenyl]methylideneamino]phenyl]sulfanylphenyl]hydroxylamine?
The canonical SMILES for N-[4-[4-[[4-(diethylamino)phenyl]methylideneamino]phenyl]sulfanylphenyl]hydroxylamine is CCN(CC)c1ccc(/C=N/c2ccc(Sc3ccc(NO)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[[4-(diethylamino)phenyl]methylideneamino]phenyl]sulfanylphenyl]hydroxylamine?
The InChIKey is KSKKIDANGRQMPU-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H25N3OS/c1-3-26(4-2)21-11-5-18(6-12-21)17-24-19-7-13-22(14-8-19)28-23-15-9-20(25-27)10-16-23/h5-17,25,27H,3-4H2,1-2H3/b24-17+.
What are the key properties of N-[4-[4-[[4-(diethylamino)phenyl]methylideneamino]phenyl]sulfanylphenyl]hydroxylamine?
N-[4-[4-[[4-(diethylamino)phenyl]methylideneamino]phenyl]sulfanylphenyl]hydroxylamine has a molecular weight of 391.54 g/mol, XLogP of 6.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[4-(diethylamino)phenyl]methylideneamino]phenyl]sulfanylphenyl]hydroxylamine is sourced from PubChem (CID 89343522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).