N-ethyl-N-[[4-(hydrazinecarbonyl)phenyl]methylsulfanyl]morpholine-4-carboxamide

C15H22N4O3S — CID 134584519

IUPACN-ethyl-N-[[4-(hydrazinecarbonyl)phenyl]methylsulfanyl]morpholine-4-carboxamide
SMILESCCN(SCc1ccc(C(=O)NN)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C15H22N4O3S/c1-2-19(15(21)18-7-9-22-10-8-18)23-11-12-3-5-13(6-4-12)14(20)17-16/h3-6H,2,7-11,16H2,1H3,(H,17,20)
InChIKeyZLEVXMBIJKVVEM-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.21
Rot. Bonds5

About N-ethyl-N-[[4-(hydrazinecarbonyl)phenyl]methylsulfanyl]morpholine-4-carboxamide

N-ethyl-N-[[4-(hydrazinecarbonyl)phenyl]methylsulfanyl]morpholine-4-carboxamide (PubChem CID 134584519) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-ethyl-N-[[4-(hydrazinecarbonyl)phenyl]methylsulfanyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[4-(hydrazinecarbonyl)phenyl]methylsulfanyl]morpholine-4-carboxamide
PubChem CID134584519
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC NameN-ethyl-N-[[4-(hydrazinecarbonyl)phenyl]methylsulfanyl]morpholine-4-carboxamide
SMILESCCN(SCc1ccc(C(=O)NN)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C15H22N4O3S/c1-2-19(15(21)18-7-9-22-10-8-18)23-11-12-3-5-13(6-4-12)14(20)17-16/h3-6H,2,7-11,16H2,1H3,(H,17,20)
InChIKeyZLEVXMBIJKVVEM-UHFFFAOYSA-N
XLogP1.21
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methylsulfanyl]morpholine-4-carboxamide
CID 134584009
N-[4-[(4-ethylphenyl)carbamoyl]phenyl]morpholine-4-carboxamide
CID 110178513
4-[(3-methylmorpholin-4-yl)methyl]benzohydrazide
CID 63574051
4-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]benzamide
CID 115569779
N-butan-2-yl-4-(morpholin-4-ylmethyl)benzamide
CID 2863525
N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 134584348
N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 140894690
N-butyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]morpholine-4-carboxamide
CID 140894941
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide
CID 63572832
N-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide
CID 79155841
N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 133244954

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-(hydrazinecarbonyl)phenyl]methylsulfanyl]morpholine-4-carboxamide?
The IUPAC name of N-ethyl-N-[[4-(hydrazinecarbonyl)phenyl]methylsulfanyl]morpholine-4-carboxamide (CID 134584519) is N-ethyl-N-[[4-(hydrazinecarbonyl)phenyl]methylsulfanyl]morpholine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[[4-(hydrazinecarbonyl)phenyl]methylsulfanyl]morpholine-4-carboxamide?
The canonical SMILES for N-ethyl-N-[[4-(hydrazinecarbonyl)phenyl]methylsulfanyl]morpholine-4-carboxamide is CCN(SCc1ccc(C(=O)NN)cc1)C(=O)N1CCOCC1.
What is the InChIKey of N-ethyl-N-[[4-(hydrazinecarbonyl)phenyl]methylsulfanyl]morpholine-4-carboxamide?
The InChIKey is ZLEVXMBIJKVVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-2-19(15(21)18-7-9-22-10-8-18)23-11-12-3-5-13(6-4-12)14(20)17-16/h3-6H,2,7-11,16H2,1H3,(H,17,20).
What are the key properties of N-ethyl-N-[[4-(hydrazinecarbonyl)phenyl]methylsulfanyl]morpholine-4-carboxamide?
N-ethyl-N-[[4-(hydrazinecarbonyl)phenyl]methylsulfanyl]morpholine-4-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-(hydrazinecarbonyl)phenyl]methylsulfanyl]morpholine-4-carboxamide is sourced from PubChem (CID 134584519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).