5-(2-aminoethylsulfanylmethyl)-N,3-dimethylfuran-2-carboxamide

C10H16N2O2S — CID 20570910

IUPAC5-(2-aminoethylsulfanylmethyl)-N,3-dimethylfuran-2-carboxamide
SMILESCNC(=O)c1oc(CSCCN)cc1C
InChIInChI=1S/C10H16N2O2S/c1-7-5-8(6-15-4-3-11)14-9(7)10(13)12-2/h5H,3-4,6,11H2,1-2H3,(H,12,13)
InChIKeyHSXYWTRDMGBTOD-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.14
Rot. Bonds5

About 5-(2-aminoethylsulfanylmethyl)-N,3-dimethylfuran-2-carboxamide

5-(2-aminoethylsulfanylmethyl)-N,3-dimethylfuran-2-carboxamide (PubChem CID 20570910) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 5-(2-aminoethylsulfanylmethyl)-N,3-dimethylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(2-aminoethylsulfanylmethyl)-N,3-dimethylfuran-2-carboxamide
PubChem CID20570910
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name5-(2-aminoethylsulfanylmethyl)-N,3-dimethylfuran-2-carboxamide
SMILESCNC(=O)c1oc(CSCCN)cc1C
InChIInChI=1S/C10H16N2O2S/c1-7-5-8(6-15-4-3-11)14-9(7)10(13)12-2/h5H,3-4,6,11H2,1-2H3,(H,12,13)
InChIKeyHSXYWTRDMGBTOD-UHFFFAOYSA-N
XLogP1.14
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-5-(pentylsulfanylmethyl)furan-2-carbohydrazide
CID 107760942
methyl 3-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]propanoate
CID 63581586
3-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide
CID 63581814
2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]-N,N-dimethylacetamide
CID 114234633
5-[(2-amino-2-methylpropyl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid
CID 66229668
3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581971
(2R)-2-amino-3-[(5-methoxycarbonyl-4-methylfuran-2-yl)methylsulfanyl]propanoic acid
CID 61141253
5-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide
CID 63591336
5-(benzylsulfanylmethyl)-3-methylfuran-2-carboxylic acid
CID 43620874
5-(2,3-dihydroxypropylsulfanylmethyl)-3-methylfuran-2-carboxylic acid
CID 79682253
3-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-2-carbohydrazide
CID 63580250
2-[1-[(5-methoxycarbonyl-4-methylfuran-2-yl)methylsulfanylmethyl]cyclopropyl]acetic acid
CID 65441726

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylsulfanylmethyl)-N,3-dimethylfuran-2-carboxamide?
The IUPAC name of 5-(2-aminoethylsulfanylmethyl)-N,3-dimethylfuran-2-carboxamide (CID 20570910) is 5-(2-aminoethylsulfanylmethyl)-N,3-dimethylfuran-2-carboxamide.
What is the SMILES notation for 5-(2-aminoethylsulfanylmethyl)-N,3-dimethylfuran-2-carboxamide?
The canonical SMILES for 5-(2-aminoethylsulfanylmethyl)-N,3-dimethylfuran-2-carboxamide is CNC(=O)c1oc(CSCCN)cc1C.
What is the InChIKey of 5-(2-aminoethylsulfanylmethyl)-N,3-dimethylfuran-2-carboxamide?
The InChIKey is HSXYWTRDMGBTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7-5-8(6-15-4-3-11)14-9(7)10(13)12-2/h5H,3-4,6,11H2,1-2H3,(H,12,13).
What are the key properties of 5-(2-aminoethylsulfanylmethyl)-N,3-dimethylfuran-2-carboxamide?
5-(2-aminoethylsulfanylmethyl)-N,3-dimethylfuran-2-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylsulfanylmethyl)-N,3-dimethylfuran-2-carboxamide is sourced from PubChem (CID 20570910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).