3-(3-aminobutylsulfanylmethyl)thiophene-2-carbohydrazide

C10H17N3OS2 — CID 66232584

IUPAC3-(3-aminobutylsulfanylmethyl)thiophene-2-carbohydrazide
SMILESCC(N)CCSCc1ccsc1C(=O)NN
InChIInChI=1S/C10H17N3OS2/c1-7(11)2-4-15-6-8-3-5-16-9(8)10(14)13-12/h3,5,7H,2,4,6,11-12H2,1H3,(H,13,14)
InChIKeyZKRPVHZIKJJLGN-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.32
Rot. Bonds6

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

3-(3-aminobutylsulfanylmethyl)thiophene-2-carbohydrazide (PubChem CID 66232584) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-(3-aminobutylsulfanylmethyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-(3-aminobutylsulfanylmethyl)thiophene-2-carbohydrazide
PubChem CID66232584
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name3-(3-aminobutylsulfanylmethyl)thiophene-2-carbohydrazide
SMILESCC(N)CCSCc1ccsc1C(=O)NN
InChIInChI=1S/C10H17N3OS2/c1-7(11)2-4-15-6-8-3-5-16-9(8)10(14)13-12/h3,5,7H,2,4,6,11-12H2,1H3,(H,13,14)
InChIKeyZKRPVHZIKJJLGN-UHFFFAOYSA-N
XLogP1.32
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.32
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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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminobutylsulfanylmethyl)thiophene-2-carbohydrazide?
The IUPAC name of 3-(3-aminobutylsulfanylmethyl)thiophene-2-carbohydrazide (CID 66232584) is 3-(3-aminobutylsulfanylmethyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 3-(3-aminobutylsulfanylmethyl)thiophene-2-carbohydrazide?
The canonical SMILES for 3-(3-aminobutylsulfanylmethyl)thiophene-2-carbohydrazide is CC(N)CCSCc1ccsc1C(=O)NN.
What is the InChIKey of 3-(3-aminobutylsulfanylmethyl)thiophene-2-carbohydrazide?
The InChIKey is ZKRPVHZIKJJLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-7(11)2-4-15-6-8-3-5-16-9(8)10(14)13-12/h3,5,7H,2,4,6,11-12H2,1H3,(H,13,14).
What are the key properties of 3-(3-aminobutylsulfanylmethyl)thiophene-2-carbohydrazide?
3-(3-aminobutylsulfanylmethyl)thiophene-2-carbohydrazide has a molecular weight of 259.40 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminobutylsulfanylmethyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 66232584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).