3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-carbohydrazide

C12H21N3O2S — CID 112666648

IUPAC3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-carbohydrazide
SMILESCCC(CSC)N(C)Cc1ccoc1C(=O)NN
InChIInChI=1S/C12H21N3O2S/c1-4-10(8-18-3)15(2)7-9-5-6-17-11(9)12(16)14-13/h5-6,10H,4,7-8,13H2,1-3H3,(H,14,16)
InChIKeyLSKYYOLHJWWLMF-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.46
Rot. Bonds7

About 3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-carbohydrazide

3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-carbohydrazide (PubChem CID 112666648) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-carbohydrazide
PubChem CID112666648
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-carbohydrazide
SMILESCCC(CSC)N(C)Cc1ccoc1C(=O)NN
InChIInChI=1S/C12H21N3O2S/c1-4-10(8-18-3)15(2)7-9-5-6-17-11(9)12(16)14-13/h5-6,10H,4,7-8,13H2,1-3H3,(H,14,16)
InChIKeyLSKYYOLHJWWLMF-UHFFFAOYSA-N
XLogP1.46
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
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

3-[(dimethylamino)methyl]furan-2-carbohydrazide
CID 63571555
3-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide
CID 79494200
2-[[methyl(pentan-3-yl)amino]methyl]furan-3-carbohydrazide
CID 63573677
3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-carbohydrazide
CID 81067916
N-methyl-1-methylsulfanyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 112665693
3-[[bis(prop-2-enyl)amino]methyl]furan-2-carbohydrazide
CID 63571598
methyl 2-amino-6-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]benzoate
CID 104824847
3-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide
CID 63577197
3-(propan-2-yloxymethyl)furan-2-carbohydrazide
CID 63576965
2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]benzenecarbothioamide
CID 112659849
3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]furan-2-carbohydrazide
CID 63573141
N-[[2-(2-aminoethyl)phenyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112661017

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-carbohydrazide (CID 112666648) is 3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-carbohydrazide is CCC(CSC)N(C)Cc1ccoc1C(=O)NN.
What is the InChIKey of 3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-carbohydrazide?
The InChIKey is LSKYYOLHJWWLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-10(8-18-3)15(2)7-9-5-6-17-11(9)12(16)14-13/h5-6,10H,4,7-8,13H2,1-3H3,(H,14,16).
What are the key properties of 3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-carbohydrazide?
3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-carbohydrazide has a molecular weight of 271.39 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-carbohydrazide is sourced from PubChem (CID 112666648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).