N-(3-aminopropyl)-5-methylsulfanylfuran-2-carboxamide

C9H14N2O2S — CID 119406286

IUPACN-(3-aminopropyl)-5-methylsulfanylfuran-2-carboxamide
SMILESCSc1ccc(C(=O)NCCCN)o1
InChIInChI=1S/C9H14N2O2S/c1-14-8-4-3-7(13-8)9(12)11-6-2-5-10/h3-4H,2,5-6,10H2,1H3,(H,11,12)
InChIKeyVKVAHGCUKKCSBC-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.08
Rot. Bonds5

About N-(3-aminopropyl)-5-methylsulfanylfuran-2-carboxamide

N-(3-aminopropyl)-5-methylsulfanylfuran-2-carboxamide (PubChem CID 119406286) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-methylsulfanylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-methylsulfanylfuran-2-carboxamide
PubChem CID119406286
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-(3-aminopropyl)-5-methylsulfanylfuran-2-carboxamide
SMILESCSc1ccc(C(=O)NCCCN)o1
InChIInChI=1S/C9H14N2O2S/c1-14-8-4-3-7(13-8)9(12)11-6-2-5-10/h3-4H,2,5-6,10H2,1H3,(H,11,12)
InChIKeyVKVAHGCUKKCSBC-UHFFFAOYSA-N
XLogP1.08
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.08
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

2-[2-[(5-methylsulfanylfuran-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241464
N-(5-aminopentyl)-5-ethylfuran-2-carboxamide
CID 79094477
5-methylsulfanyl-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride
CID 119392043
N-(3-aminopropyl)-5-nitrofuran-2-carboxamide
CID 24697621
N-[2-(methylamino)propyl]-5-methylsulfanylfuran-2-carboxamide;hydrochloride
CID 120832608
N-(3-aminopropyl)-N-benzyl-5-methylsulfanylfuran-2-carboxamide
CID 120649558
5-(aminomethyl)-N-octylfuran-2-carboxamide
CID 115567865
5-methylsulfanyl-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;hydrochloride
CID 119556582
N-(3-aminopropyl)-1,2-oxazole-5-carboxamide
CID 62268259
N-(2-aminoethyl)-5-[(dimethylamino)methyl]furan-2-carboxamide
CID 10104585
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-phenoxyfuran-2-carboxamide
CID 70658082
5-(aminomethyl)-N-(3-propoxypropyl)furan-2-carboxamide
CID 82942250

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-methylsulfanylfuran-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-5-methylsulfanylfuran-2-carboxamide (CID 119406286) is N-(3-aminopropyl)-5-methylsulfanylfuran-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-5-methylsulfanylfuran-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-5-methylsulfanylfuran-2-carboxamide is CSc1ccc(C(=O)NCCCN)o1.
What is the InChIKey of N-(3-aminopropyl)-5-methylsulfanylfuran-2-carboxamide?
The InChIKey is VKVAHGCUKKCSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-14-8-4-3-7(13-8)9(12)11-6-2-5-10/h3-4H,2,5-6,10H2,1H3,(H,11,12).
What are the key properties of N-(3-aminopropyl)-5-methylsulfanylfuran-2-carboxamide?
N-(3-aminopropyl)-5-methylsulfanylfuran-2-carboxamide has a molecular weight of 214.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-methylsulfanylfuran-2-carboxamide is sourced from PubChem (CID 119406286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).