5-(3-methoxypropylsulfanylmethyl)thiophene-2-carbohydrazide

C10H16N2O2S2 — CID 63855802

IUPAC5-(3-methoxypropylsulfanylmethyl)thiophene-2-carbohydrazide
SMILESCOCCCSCc1ccc(C(=O)NN)s1
InChIInChI=1S/C10H16N2O2S2/c1-14-5-2-6-15-7-8-3-4-9(16-8)10(13)12-11/h3-4H,2,5-7,11H2,1H3,(H,12,13)
InChIKeyJXVPDLAWEOCBPX-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.62
Rot. Bonds7

About 5-(3-methoxypropylsulfanylmethyl)thiophene-2-carbohydrazide

5-(3-methoxypropylsulfanylmethyl)thiophene-2-carbohydrazide (PubChem CID 63855802) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-(3-methoxypropylsulfanylmethyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-(3-methoxypropylsulfanylmethyl)thiophene-2-carbohydrazide
PubChem CID63855802
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC Name5-(3-methoxypropylsulfanylmethyl)thiophene-2-carbohydrazide
SMILESCOCCCSCc1ccc(C(=O)NN)s1
InChIInChI=1S/C10H16N2O2S2/c1-14-5-2-6-15-7-8-3-4-9(16-8)10(13)12-11/h3-4H,2,5-7,11H2,1H3,(H,12,13)
InChIKeyJXVPDLAWEOCBPX-UHFFFAOYSA-N
XLogP1.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
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 5-(3-methoxypropylsulfanylmethyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-(3-methoxypropylsulfanylmethyl)thiophene-2-carbohydrazide (CID 63855802) is 5-(3-methoxypropylsulfanylmethyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-(3-methoxypropylsulfanylmethyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-(3-methoxypropylsulfanylmethyl)thiophene-2-carbohydrazide is COCCCSCc1ccc(C(=O)NN)s1.
What is the InChIKey of 5-(3-methoxypropylsulfanylmethyl)thiophene-2-carbohydrazide?
The InChIKey is JXVPDLAWEOCBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-14-5-2-6-15-7-8-3-4-9(16-8)10(13)12-11/h3-4H,2,5-7,11H2,1H3,(H,12,13).
What are the key properties of 5-(3-methoxypropylsulfanylmethyl)thiophene-2-carbohydrazide?
5-(3-methoxypropylsulfanylmethyl)thiophene-2-carbohydrazide has a molecular weight of 260.38 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropylsulfanylmethyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 63855802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).