N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide

C8H10N2O2S — CID 62665546

IUPACN-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide
SMILESNC(=S)CCNC(=O)c1ccco1
InChIInChI=1S/C8H10N2O2S/c9-7(13)3-4-10-8(11)6-2-1-5-12-6/h1-2,5H,3-4H2,(H2,9,13)(H,10,11)
InChIKeyJHSIGDXXVJDYJL-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.69
Rot. Bonds4

About N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide

N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide (PubChem CID 62665546) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide
PubChem CID62665546
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide
SMILESNC(=S)CCNC(=O)c1ccco1
InChIInChI=1S/C8H10N2O2S/c9-7(13)3-4-10-8(11)6-2-1-5-12-6/h1-2,5H,3-4H2,(H2,9,13)(H,10,11)
InChIKeyJHSIGDXXVJDYJL-UHFFFAOYSA-N
XLogP0.69
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.69
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

3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119278257
N-(4-aminobutyl)furan-2-carboxamide
CID 14423349
N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide
CID 2440550
N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 110914716
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
N-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide
CID 108571149
3-[3-(furan-2-carbonylamino)propanoylamino]butanoic acid
CID 43172663
N-[2-(2-hydroxyethylamino)ethyl]furan-2-carboxamide
CID 3155965
N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide
CID 119278256
N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 111460641

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide (CID 62665546) is N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide is NC(=S)CCNC(=O)c1ccco1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide?
The InChIKey is JHSIGDXXVJDYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c9-7(13)3-4-10-8(11)6-2-1-5-12-6/h1-2,5H,3-4H2,(H2,9,13)(H,10,11).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide has a molecular weight of 198.25 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide is sourced from PubChem (CID 62665546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).