(NZ)-N-[1-[10-[3-(dimethylamino)propyl]phenothiazin-1-yl]ethylidene]hydroxylamine

C19H23N3OS — CID 5361453

IUPAC(NZ)-N-[1-[10-[3-(dimethylamino)propyl]phenothiazin-1-yl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1cccc2c1N(CCCN(C)C)c1ccccc1S2
InChIInChI=1S/C19H23N3OS/c1-14(20-23)15-8-6-11-18-19(15)22(13-7-12-21(2)3)16-9-4-5-10-17(16)24-18/h4-6,8-11,23H,7,12-13H2,1-3H3/b20-14-
InChIKeyVHUSVBNGMNMLAF-ZHZULCJRSA-N
MW341.48 g/mol
LogP4.44
Rot. Bonds5

About (NZ)-N-[1-[10-[3-(dimethylamino)propyl]phenothiazin-1-yl]ethylidene]hydroxylamine

(NZ)-N-[1-[10-[3-(dimethylamino)propyl]phenothiazin-1-yl]ethylidene]hydroxylamine (PubChem CID 5361453) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is (NZ)-N-[1-[10-[3-(dimethylamino)propyl]phenothiazin-1-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[10-[3-(dimethylamino)propyl]phenothiazin-1-yl]ethylidene]hydroxylamine
PubChem CID5361453
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name(NZ)-N-[1-[10-[3-(dimethylamino)propyl]phenothiazin-1-yl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1cccc2c1N(CCCN(C)C)c1ccccc1S2
InChIInChI=1S/C19H23N3OS/c1-14(20-23)15-8-6-11-18-19(15)22(13-7-12-21(2)3)16-9-4-5-10-17(16)24-18/h4-6,8-11,23H,7,12-13H2,1-3H3/b20-14-
InChIKeyVHUSVBNGMNMLAF-ZHZULCJRSA-N
XLogP4.44
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-chloro-1-[2-chloro-10-[3-(dimethylamino)propyl]phenothiazin-1-yl]sulfinylphenothiazin-10-yl]-N,N-dimethylpropan-1-amine
CID 57224843
3-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenothiazin-10-yl]-N,N-dimethylpropan-1-amine
CID 10570197
N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;dihydrochloride
CID 71587927
N,N-dimethyl-2-phenothiazin-10-ylethanamine;iodomethane
CID 23622918
3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine
CID 18847
3-[2,3-bis(ethenyl)-1,4-benzothiazin-4-yl]-N,N-dimethylpropan-1-amine
CID 142894617
4-chloro-N-methyl-N-(3-phenothiazin-10-ylpropyl)butan-1-amine
CID 21150471
10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-ol
CID 57369155
1-[10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-yl]ethanone
CID 71312308
1-bromo-10-dodecylphenothiazine
CID 175144859
(Z)-but-2-enedioate;1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one
CID 20838698
3-pyrido[3,2-b][1,4]benzothiazin-10-yl-N,N-bis(trideuteriomethyl)propan-1-amine
CID 71751860

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[10-[3-(dimethylamino)propyl]phenothiazin-1-yl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[10-[3-(dimethylamino)propyl]phenothiazin-1-yl]ethylidene]hydroxylamine (CID 5361453) is (NZ)-N-[1-[10-[3-(dimethylamino)propyl]phenothiazin-1-yl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[10-[3-(dimethylamino)propyl]phenothiazin-1-yl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[10-[3-(dimethylamino)propyl]phenothiazin-1-yl]ethylidene]hydroxylamine is C/C(=N/O)c1cccc2c1N(CCCN(C)C)c1ccccc1S2.
What is the InChIKey of (NZ)-N-[1-[10-[3-(dimethylamino)propyl]phenothiazin-1-yl]ethylidene]hydroxylamine?
The InChIKey is VHUSVBNGMNMLAF-ZHZULCJRSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-14(20-23)15-8-6-11-18-19(15)22(13-7-12-21(2)3)16-9-4-5-10-17(16)24-18/h4-6,8-11,23H,7,12-13H2,1-3H3/b20-14-.
What are the key properties of (NZ)-N-[1-[10-[3-(dimethylamino)propyl]phenothiazin-1-yl]ethylidene]hydroxylamine?
(NZ)-N-[1-[10-[3-(dimethylamino)propyl]phenothiazin-1-yl]ethylidene]hydroxylamine has a molecular weight of 341.48 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[10-[3-(dimethylamino)propyl]phenothiazin-1-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 5361453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).