5-(2-aminopropylsulfanylmethyl)thiophene-2-carbohydrazide

C9H15N3OS2 — CID 66216952

IUPAC5-(2-aminopropylsulfanylmethyl)thiophene-2-carbohydrazide
SMILESCC(N)CSCc1ccc(C(=O)NN)s1
InChIInChI=1S/C9H15N3OS2/c1-6(10)4-14-5-7-2-3-8(15-7)9(13)12-11/h2-3,6H,4-5,10-11H2,1H3,(H,12,13)
InChIKeyQNUUNJOSUPVYDJ-UHFFFAOYSA-N
MW245.37 g/mol
LogP0.93
Rot. Bonds5

About 5-(2-aminopropylsulfanylmethyl)thiophene-2-carbohydrazide

5-(2-aminopropylsulfanylmethyl)thiophene-2-carbohydrazide (PubChem CID 66216952) has the molecular formula C9H15N3OS2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-(2-aminopropylsulfanylmethyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-(2-aminopropylsulfanylmethyl)thiophene-2-carbohydrazide
PubChem CID66216952
Molecular FormulaC9H15N3OS2
Molecular Weight245.37 g/mol
Exact Mass245.07
IUPAC Name5-(2-aminopropylsulfanylmethyl)thiophene-2-carbohydrazide
SMILESCC(N)CSCc1ccc(C(=O)NN)s1
InChIInChI=1S/C9H15N3OS2/c1-6(10)4-14-5-7-2-3-8(15-7)9(13)12-11/h2-3,6H,4-5,10-11H2,1H3,(H,12,13)
InChIKeyQNUUNJOSUPVYDJ-UHFFFAOYSA-N
XLogP0.93
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 50.93
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

methyl 2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methylsulfanyl]acetate
CID 63580305
5-(3-methoxypropylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63855802
5-[(4-tert-butylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63582493
1-[(5-bromothiophen-2-yl)methylsulfanyl]propan-2-amine
CID 66217511
5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide
CID 63575070
5-[(2-amino-3-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 79147042
5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63585226
5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63580407
5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 55212321
5-[(4-methylsulfonylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63590993
5-[(5-oxo-4-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63582352
5-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63580775

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropylsulfanylmethyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-(2-aminopropylsulfanylmethyl)thiophene-2-carbohydrazide (CID 66216952) is 5-(2-aminopropylsulfanylmethyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-(2-aminopropylsulfanylmethyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-(2-aminopropylsulfanylmethyl)thiophene-2-carbohydrazide is CC(N)CSCc1ccc(C(=O)NN)s1.
What is the InChIKey of 5-(2-aminopropylsulfanylmethyl)thiophene-2-carbohydrazide?
The InChIKey is QNUUNJOSUPVYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS2/c1-6(10)4-14-5-7-2-3-8(15-7)9(13)12-11/h2-3,6H,4-5,10-11H2,1H3,(H,12,13).
What are the key properties of 5-(2-aminopropylsulfanylmethyl)thiophene-2-carbohydrazide?
5-(2-aminopropylsulfanylmethyl)thiophene-2-carbohydrazide has a molecular weight of 245.37 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropylsulfanylmethyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 66216952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).