N-(2-amino-2-sulfanylideneethyl)-2,5-dimethylfuran-3-carboxamide

C9H12N2O2S — CID 61127079

IUPACN-(2-amino-2-sulfanylideneethyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(N)=S)c(C)o1
InChIInChI=1S/C9H12N2O2S/c1-5-3-7(6(2)13-5)9(12)11-4-8(10)14/h3H,4H2,1-2H3,(H2,10,14)(H,11,12)
InChIKeyDRTUJBLCGBJAQM-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.91
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-2,5-dimethylfuran-3-carboxamide

N-(2-amino-2-sulfanylideneethyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 61127079) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID61127079
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(N)=S)c(C)o1
InChIInChI=1S/C9H12N2O2S/c1-5-3-7(6(2)13-5)9(12)11-4-8(10)14/h3H,4H2,1-2H3,(H2,10,14)(H,11,12)
InChIKeyDRTUJBLCGBJAQM-UHFFFAOYSA-N
XLogP0.91
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-4-sulfanylidenebutyl)-2,5-dimethylfuran-3-carboxamide
CID 62667359
N-[2-[methoxy(methyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 47301051
2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide
CID 60653753
N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide
CID 17165083
N-[2-[(2-chloroacetyl)amino]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 166429368
2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
CID 35523982
2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl-dimethylazanium
CID 7346584
N-[(4-aminocyclohexyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 106124578
N-methoxy-2,5-dimethylfuran-3-carboxamide
CID 60716938
N-(2-amino-2-sulfanylideneethyl)-4-hydroxy-2-methylbenzamide
CID 107671452
N-[2-(aminomethyl)-2-ethylbutyl]-2,5-dimethylfuran-3-carboxamide
CID 106250540
N-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide
CID 66089287

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2,5-dimethylfuran-3-carboxamide (CID 61127079) is N-(2-amino-2-sulfanylideneethyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC(N)=S)c(C)o1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is DRTUJBLCGBJAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-5-3-7(6(2)13-5)9(12)11-4-8(10)14/h3H,4H2,1-2H3,(H2,10,14)(H,11,12).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-2,5-dimethylfuran-3-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 212.27 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 61127079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).