N'-[amino(ethylsulfanyl)methyl]-2-hydroxy-3-methoxybenzohydrazide

C11H17N3O3S — CID 102441294

IUPACN'-[amino(ethylsulfanyl)methyl]-2-hydroxy-3-methoxybenzohydrazide
SMILESCCSC(N)NNC(=O)c1cccc(OC)c1O
InChIInChI=1S/C11H17N3O3S/c1-3-18-11(12)14-13-10(16)7-5-4-6-8(17-2)9(7)15/h4-6,11,14-15H,3,12H2,1-2H3,(H,13,16)
InChIKeyTXAIDMQNQUNDGQ-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.63
Rot. Bonds6

About N'-[amino(ethylsulfanyl)methyl]-2-hydroxy-3-methoxybenzohydrazide

N'-[amino(ethylsulfanyl)methyl]-2-hydroxy-3-methoxybenzohydrazide (PubChem CID 102441294) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N'-[amino(ethylsulfanyl)methyl]-2-hydroxy-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[amino(ethylsulfanyl)methyl]-2-hydroxy-3-methoxybenzohydrazide
PubChem CID102441294
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN'-[amino(ethylsulfanyl)methyl]-2-hydroxy-3-methoxybenzohydrazide
SMILESCCSC(N)NNC(=O)c1cccc(OC)c1O
InChIInChI=1S/C11H17N3O3S/c1-3-18-11(12)14-13-10(16)7-5-4-6-8(17-2)9(7)15/h4-6,11,14-15H,3,12H2,1-2H3,(H,13,16)
InChIKeyTXAIDMQNQUNDGQ-UHFFFAOYSA-N
XLogP0.63
TPSA96.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide
CID 24773714
N-(2-ethylbutyl)-2-hydroxy-3-methoxybenzamide
CID 115613558
N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 115622767
N-heptan-2-yl-2-hydroxy-3-methoxybenzamide
CID 60653869
methyl 2-[(2-hydroxy-3-methoxybenzoyl)amino]-3-methylbutanoate
CID 43386285
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 61121088
2,3-dihydroxy-1-(2-hydroxy-3-methoxyphenyl)propan-1-one
CID 141355227
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-3-methoxybenzoate
CID 18075722
(2-hydroxy-3-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 67681144
N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide
CID 62656877
2-hydroxy-3-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 60653927
2-hydroxy-N-(3-hydroxyphenyl)-3-methoxybenzamide
CID 28739843

Frequently Asked Questions

What is the IUPAC name of N'-[amino(ethylsulfanyl)methyl]-2-hydroxy-3-methoxybenzohydrazide?
The IUPAC name of N'-[amino(ethylsulfanyl)methyl]-2-hydroxy-3-methoxybenzohydrazide (CID 102441294) is N'-[amino(ethylsulfanyl)methyl]-2-hydroxy-3-methoxybenzohydrazide.
What is the SMILES notation for N'-[amino(ethylsulfanyl)methyl]-2-hydroxy-3-methoxybenzohydrazide?
The canonical SMILES for N'-[amino(ethylsulfanyl)methyl]-2-hydroxy-3-methoxybenzohydrazide is CCSC(N)NNC(=O)c1cccc(OC)c1O.
What is the InChIKey of N'-[amino(ethylsulfanyl)methyl]-2-hydroxy-3-methoxybenzohydrazide?
The InChIKey is TXAIDMQNQUNDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-3-18-11(12)14-13-10(16)7-5-4-6-8(17-2)9(7)15/h4-6,11,14-15H,3,12H2,1-2H3,(H,13,16).
What are the key properties of N'-[amino(ethylsulfanyl)methyl]-2-hydroxy-3-methoxybenzohydrazide?
N'-[amino(ethylsulfanyl)methyl]-2-hydroxy-3-methoxybenzohydrazide has a molecular weight of 271.34 g/mol, XLogP of 0.63, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[amino(ethylsulfanyl)methyl]-2-hydroxy-3-methoxybenzohydrazide is sourced from PubChem (CID 102441294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).