N-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide

C8H9BrN2O2S — CID 62665925

IUPACN-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide
SMILESNC(=S)CCNC(=O)c1ccc(Br)o1
InChIInChI=1S/C8H9BrN2O2S/c9-6-2-1-5(13-6)8(12)11-4-3-7(10)14/h1-2H,3-4H2,(H2,10,14)(H,11,12)
InChIKeySZZVPHVEJSGMLT-UHFFFAOYSA-N
MW277.14 g/mol
LogP1.45
Rot. Bonds4

About N-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide

N-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide (PubChem CID 62665925) has the molecular formula C8H9BrN2O2S and a molecular weight of 277.14 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide
PubChem CID62665925
Molecular FormulaC8H9BrN2O2S
Molecular Weight277.14 g/mol
Exact Mass275.96
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide
SMILESNC(=S)CCNC(=O)c1ccc(Br)o1
InChIInChI=1S/C8H9BrN2O2S/c9-6-2-1-5(13-6)8(12)11-4-3-7(10)14/h1-2H,3-4H2,(H2,10,14)(H,11,12)
InChIKeySZZVPHVEJSGMLT-UHFFFAOYSA-N
XLogP1.45
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.14
LogP ≤ 51.45
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

5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
5-bromo-N-[2-(propanoylamino)ethyl]furan-2-carboxamide
CID 108540408
5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
CID 10378007
5-bromo-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119505166
5-bromo-N-[3-(heptylamino)-3-oxopropyl]furan-2-carboxamide
CID 3670554
N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide
CID 62665546
5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide
CID 110742704
5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide
CID 55028748
5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide
CID 115635897
benzyl N-[2-[(5-bromofuran-2-carbonyl)amino]ethyl]carbamate
CID 108571926
5-bromo-N-[2-(1H-pyrrol-3-yl)ethyl]furan-2-carboxamide
CID 110795686
5-bromo-N-[2-(3,4-difluorophenyl)ethyl]furan-2-carboxamide
CID 110795401

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide (CID 62665925) is N-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide is NC(=S)CCNC(=O)c1ccc(Br)o1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide?
The InChIKey is SZZVPHVEJSGMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2S/c9-6-2-1-5(13-6)8(12)11-4-3-7(10)14/h1-2H,3-4H2,(H2,10,14)(H,11,12).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide has a molecular weight of 277.14 g/mol, XLogP of 1.45, 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)-5-bromofuran-2-carboxamide is sourced from PubChem (CID 62665925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).