2-(3-aminobutylsulfanylmethyl)furan-3-carbohydrazide

C10H17N3O2S — CID 66233707

IUPAC2-(3-aminobutylsulfanylmethyl)furan-3-carbohydrazide
SMILESCC(N)CCSCc1occc1C(=O)NN
InChIInChI=1S/C10H17N3O2S/c1-7(11)3-5-16-6-9-8(2-4-15-9)10(14)13-12/h2,4,7H,3,5-6,11-12H2,1H3,(H,13,14)
InChIKeyWDLLWZYSFUCGEG-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.85
Rot. Bonds6

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

2-(3-aminobutylsulfanylmethyl)furan-3-carbohydrazide (PubChem CID 66233707) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(3-aminobutylsulfanylmethyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name2-(3-aminobutylsulfanylmethyl)furan-3-carbohydrazide
PubChem CID66233707
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-(3-aminobutylsulfanylmethyl)furan-3-carbohydrazide
SMILESCC(N)CCSCc1occc1C(=O)NN
InChIInChI=1S/C10H17N3O2S/c1-7(11)3-5-16-6-9-8(2-4-15-9)10(14)13-12/h2,4,7H,3,5-6,11-12H2,1H3,(H,13,14)
InChIKeyWDLLWZYSFUCGEG-UHFFFAOYSA-N
XLogP0.85
TPSA94.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.85
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

2-(2-aminobutylsulfanylmethyl)furan-3-carbohydrazide
CID 66228175
2-[(3-methylphenyl)methylsulfanylmethyl]furan-3-carbohydrazide
CID 63580531
3-(3-aminobutylsulfanylmethyl)thiophene-2-carbohydrazide
CID 66232584
2-[(2,5-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580649
2-[(2,5-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 55214856
2-(diethylaminomethyl)furan-3-carbohydrazide
CID 63570482
2-[(2-amino-5-bromophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 79533926
2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581538
2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 63581803
4-(furan-2-ylmethylsulfanyl)butan-2-amine
CID 64611326
2-[[methyl(pentan-3-yl)amino]methyl]furan-3-carbohydrazide
CID 63573677
3-[(3-methoxycarbonylfuran-2-yl)methylsulfanyl]propanoic acid
CID 43093018

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutylsulfanylmethyl)furan-3-carbohydrazide?
The IUPAC name of 2-(3-aminobutylsulfanylmethyl)furan-3-carbohydrazide (CID 66233707) is 2-(3-aminobutylsulfanylmethyl)furan-3-carbohydrazide.
What is the SMILES notation for 2-(3-aminobutylsulfanylmethyl)furan-3-carbohydrazide?
The canonical SMILES for 2-(3-aminobutylsulfanylmethyl)furan-3-carbohydrazide is CC(N)CCSCc1occc1C(=O)NN.
What is the InChIKey of 2-(3-aminobutylsulfanylmethyl)furan-3-carbohydrazide?
The InChIKey is WDLLWZYSFUCGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-7(11)3-5-16-6-9-8(2-4-15-9)10(14)13-12/h2,4,7H,3,5-6,11-12H2,1H3,(H,13,14).
What are the key properties of 2-(3-aminobutylsulfanylmethyl)furan-3-carbohydrazide?
2-(3-aminobutylsulfanylmethyl)furan-3-carbohydrazide has a molecular weight of 243.33 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutylsulfanylmethyl)furan-3-carbohydrazide is sourced from PubChem (CID 66233707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).