N-[3-[[amino(thiomorpholin-4-yl)methylidene]amino]propyl]-3-hydroxybenzamide

C15H22N4O2S — CID 111094339

IUPACN-[3-[[amino(thiomorpholin-4-yl)methylidene]amino]propyl]-3-hydroxybenzamide
SMILESN/C(=N\CCCNC(=O)c1cccc(O)c1)N1CCSCC1
InChIInChI=1S/C15H22N4O2S/c16-15(19-7-9-22-10-8-19)18-6-2-5-17-14(21)12-3-1-4-13(20)11-12/h1,3-4,11,20H,2,5-10H2,(H2,16,18)(H,17,21)
InChIKeyVVUGWOFONMCXJZ-UHFFFAOYSA-N
MW322.43 g/mol
LogP0.88
Rot. Bonds5

About N-[3-[[amino(thiomorpholin-4-yl)methylidene]amino]propyl]-3-hydroxybenzamide

N-[3-[[amino(thiomorpholin-4-yl)methylidene]amino]propyl]-3-hydroxybenzamide (PubChem CID 111094339) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[3-[[amino(thiomorpholin-4-yl)methylidene]amino]propyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-[[amino(thiomorpholin-4-yl)methylidene]amino]propyl]-3-hydroxybenzamide
PubChem CID111094339
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-[3-[[amino(thiomorpholin-4-yl)methylidene]amino]propyl]-3-hydroxybenzamide
SMILESN/C(=N\CCCNC(=O)c1cccc(O)c1)N1CCSCC1
InChIInChI=1S/C15H22N4O2S/c16-15(19-7-9-22-10-8-19)18-6-2-5-17-14(21)12-3-1-4-13(20)11-12/h1,3-4,11,20H,2,5-10H2,(H2,16,18)(H,17,21)
InChIKeyVVUGWOFONMCXJZ-UHFFFAOYSA-N
XLogP0.88
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[amino(thiomorpholin-4-yl)methylidene]amino]propyl]-3-bromobenzamide
CID 111094185
N-[3-[[amino(morpholin-4-yl)methylidene]amino]propyl]-3-bromobenzamide
CID 111094139
N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide
CID 83120683
N-[3-[[amino(piperidin-1-yl)methylidene]amino]propyl]-4-bromobenzamide
CID 111094043
N-[3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propyl]-3-hydroxybenzamide
CID 111144304
N-[3-[[butylamino(ethylamino)methylidene]amino]propyl]-3-hydroxybenzamide;hydroiodide
CID 111150111
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
N-[3-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]propyl]-3-hydroxybenzamide;hydroiodide
CID 111018688
N-[2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]ethyl]-3-bromobenzamide;hydroiodide
CID 111095125
3-hydroxy-N-octylbenzamide
CID 115568584
2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide
CID 51105782
N-(2-bromoethyl)-3-hydroxybenzamide
CID 114307478

Frequently Asked Questions

What is the IUPAC name of N-[3-[[amino(thiomorpholin-4-yl)methylidene]amino]propyl]-3-hydroxybenzamide?
The IUPAC name of N-[3-[[amino(thiomorpholin-4-yl)methylidene]amino]propyl]-3-hydroxybenzamide (CID 111094339) is N-[3-[[amino(thiomorpholin-4-yl)methylidene]amino]propyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[3-[[amino(thiomorpholin-4-yl)methylidene]amino]propyl]-3-hydroxybenzamide?
The canonical SMILES for N-[3-[[amino(thiomorpholin-4-yl)methylidene]amino]propyl]-3-hydroxybenzamide is N/C(=N\CCCNC(=O)c1cccc(O)c1)N1CCSCC1.
What is the InChIKey of N-[3-[[amino(thiomorpholin-4-yl)methylidene]amino]propyl]-3-hydroxybenzamide?
The InChIKey is VVUGWOFONMCXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c16-15(19-7-9-22-10-8-19)18-6-2-5-17-14(21)12-3-1-4-13(20)11-12/h1,3-4,11,20H,2,5-10H2,(H2,16,18)(H,17,21).
What are the key properties of N-[3-[[amino(thiomorpholin-4-yl)methylidene]amino]propyl]-3-hydroxybenzamide?
N-[3-[[amino(thiomorpholin-4-yl)methylidene]amino]propyl]-3-hydroxybenzamide has a molecular weight of 322.43 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[amino(thiomorpholin-4-yl)methylidene]amino]propyl]-3-hydroxybenzamide is sourced from PubChem (CID 111094339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).