5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide

C11H17N3O2S — CID 103358731

IUPAC5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide
SMILESCC1(O)CCN(Cc2ccc(C(=O)NN)s2)C1
InChIInChI=1S/C11H17N3O2S/c1-11(16)4-5-14(7-11)6-8-2-3-9(17-8)10(15)13-12/h2-3,16H,4-7,12H2,1H3,(H,13,15)
InChIKeyXRLKJRIFFWHTHS-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.31
Rot. Bonds3

About 5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide

5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide (PubChem CID 103358731) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide
PubChem CID103358731
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide
SMILESCC1(O)CCN(Cc2ccc(C(=O)NN)s2)C1
InChIInChI=1S/C11H17N3O2S/c1-11(16)4-5-14(7-11)6-8-2-3-9(17-8)10(15)13-12/h2-3,16H,4-7,12H2,1H3,(H,13,15)
InChIKeyXRLKJRIFFWHTHS-UHFFFAOYSA-N
XLogP0.31
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.31
H-Bond Donors ≤ 53
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'}

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol
CID 103728690
1-[(5-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol
CID 103728565
5-[(4-tert-butylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63577667
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thiophene-2-carbohydrazide
CID 113336320
5-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thiophene-2-carbohydrazide
CID 64828866
5-[(3,3,4-trimethylpiperazin-1-yl)methyl]thiophene-2-carboxylic acid
CID 63610264
5-[(2,6-dimethylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 55214398
3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol
CID 103728480
5-[(6-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63795798
5-[(2-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 63577211
2-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetohydrazide
CID 105352110
1-[(5-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709452

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide (CID 103358731) is 5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide is CC1(O)CCN(Cc2ccc(C(=O)NN)s2)C1.
What is the InChIKey of 5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide?
The InChIKey is XRLKJRIFFWHTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-11(16)4-5-14(7-11)6-8-2-3-9(17-8)10(15)13-12/h2-3,16H,4-7,12H2,1H3,(H,13,15).
What are the key properties of 5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide?
5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide has a molecular weight of 255.34 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 103358731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).