3-(2-aminoethylsulfanylmethyl)thiophene-2-carbohydrazide

C8H13N3OS2 — CID 63640947

IUPAC3-(2-aminoethylsulfanylmethyl)thiophene-2-carbohydrazide
SMILESNCCSCc1ccsc1C(=O)NN
InChIInChI=1S/C8H13N3OS2/c9-2-4-13-5-6-1-3-14-7(6)8(12)11-10/h1,3H,2,4-5,9-10H2,(H,11,12)
InChIKeyDNWYDFYCCJOLSD-UHFFFAOYSA-N
MW231.35 g/mol
LogP0.54
Rot. Bonds5

About 3-(2-aminoethylsulfanylmethyl)thiophene-2-carbohydrazide

3-(2-aminoethylsulfanylmethyl)thiophene-2-carbohydrazide (PubChem CID 63640947) has the molecular formula C8H13N3OS2 and a molecular weight of 231.35 g/mol. Its IUPAC name is 3-(2-aminoethylsulfanylmethyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-(2-aminoethylsulfanylmethyl)thiophene-2-carbohydrazide
PubChem CID63640947
Molecular FormulaC8H13N3OS2
Molecular Weight231.35 g/mol
Exact Mass231.05
IUPAC Name3-(2-aminoethylsulfanylmethyl)thiophene-2-carbohydrazide
SMILESNCCSCc1ccsc1C(=O)NN
InChIInChI=1S/C8H13N3OS2/c9-2-4-13-5-6-1-3-14-7(6)8(12)11-10/h1,3H,2,4-5,9-10H2,(H,11,12)
InChIKeyDNWYDFYCCJOLSD-UHFFFAOYSA-N
XLogP0.54
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminobutylsulfanylmethyl)thiophene-2-carbohydrazide
CID 66232584
3-(methylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63640253
3-(2,3-dihydroxypropylsulfanylmethyl)thiophene-2-carbohydrazide
CID 79671984
3-(2-aminobutylsulfanylmethyl)thiophene-2-carbohydrazide
CID 66231446
3-(thiophen-2-ylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63639235
3-(oxan-4-ylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63639069
3-(2-methoxyethylsulfanylmethyl)thiophene-2-carboxylic acid
CID 63641559
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carbohydrazide
CID 63736840
3-[(3-amino-4-pyridinyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63641118
3-[(5-amino-2-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 79141449
3-(2-aminoethylsulfanylmethyl)-1-benzothiophene-2-carbohydrazide
CID 63582377
3-(ethoxymethyl)thiophene-2-carbohydrazide
CID 63639341

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylsulfanylmethyl)thiophene-2-carbohydrazide?
The IUPAC name of 3-(2-aminoethylsulfanylmethyl)thiophene-2-carbohydrazide (CID 63640947) is 3-(2-aminoethylsulfanylmethyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 3-(2-aminoethylsulfanylmethyl)thiophene-2-carbohydrazide?
The canonical SMILES for 3-(2-aminoethylsulfanylmethyl)thiophene-2-carbohydrazide is NCCSCc1ccsc1C(=O)NN.
What is the InChIKey of 3-(2-aminoethylsulfanylmethyl)thiophene-2-carbohydrazide?
The InChIKey is DNWYDFYCCJOLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS2/c9-2-4-13-5-6-1-3-14-7(6)8(12)11-10/h1,3H,2,4-5,9-10H2,(H,11,12).
What are the key properties of 3-(2-aminoethylsulfanylmethyl)thiophene-2-carbohydrazide?
3-(2-aminoethylsulfanylmethyl)thiophene-2-carbohydrazide has a molecular weight of 231.35 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylsulfanylmethyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 63640947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).