5-(aminomethyl)-N-cyclopropylsulfonylfuran-2-carboxamide

C9H12N2O4S — CID 103308429

IUPAC5-(aminomethyl)-N-cyclopropylsulfonylfuran-2-carboxamide
SMILESNCc1ccc(C(=O)NS(=O)(=O)C2CC2)o1
InChIInChI=1S/C9H12N2O4S/c10-5-6-1-4-8(15-6)9(12)11-16(13,14)7-2-3-7/h1,4,7H,2-3,5,10H2,(H,11,12)
InChIKeyLIEJELRRDYKBIT-UHFFFAOYSA-N
MW244.27 g/mol
LogP-0.04
Rot. Bonds4

About 5-(aminomethyl)-N-cyclopropylsulfonylfuran-2-carboxamide

5-(aminomethyl)-N-cyclopropylsulfonylfuran-2-carboxamide (PubChem CID 103308429) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 5-(aminomethyl)-N-cyclopropylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-cyclopropylsulfonylfuran-2-carboxamide
PubChem CID103308429
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name5-(aminomethyl)-N-cyclopropylsulfonylfuran-2-carboxamide
SMILESNCc1ccc(C(=O)NS(=O)(=O)C2CC2)o1
InChIInChI=1S/C9H12N2O4S/c10-5-6-1-4-8(15-6)9(12)11-16(13,14)7-2-3-7/h1,4,7H,2-3,5,10H2,(H,11,12)
InChIKeyLIEJELRRDYKBIT-UHFFFAOYSA-N
XLogP-0.04
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-cyclopentyloxyfuran-2-carboxamide
CID 83236233
5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide
CID 107222112
5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)furan-2-carboxamide
CID 103809618
5-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide
CID 83021104
5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide
CID 103809834
5-(aminomethyl)-N-octylfuran-2-carboxamide
CID 115567865
5-(aminomethyl)-N-(2-propylcyclopropyl)furan-2-carboxamide
CID 103812746
1-[[5-(aminomethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81161794
5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide
CID 103811384
5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)furan-2-carboxamide
CID 115741001
5-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide
CID 115360097
5-(aminomethyl)-N-pyridin-4-ylfuran-2-carboxamide;dihydrochloride
CID 69452250

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-cyclopropylsulfonylfuran-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-cyclopropylsulfonylfuran-2-carboxamide (CID 103308429) is 5-(aminomethyl)-N-cyclopropylsulfonylfuran-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-cyclopropylsulfonylfuran-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-cyclopropylsulfonylfuran-2-carboxamide is NCc1ccc(C(=O)NS(=O)(=O)C2CC2)o1.
What is the InChIKey of 5-(aminomethyl)-N-cyclopropylsulfonylfuran-2-carboxamide?
The InChIKey is LIEJELRRDYKBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c10-5-6-1-4-8(15-6)9(12)11-16(13,14)7-2-3-7/h1,4,7H,2-3,5,10H2,(H,11,12).
What are the key properties of 5-(aminomethyl)-N-cyclopropylsulfonylfuran-2-carboxamide?
5-(aminomethyl)-N-cyclopropylsulfonylfuran-2-carboxamide has a molecular weight of 244.27 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-cyclopropylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 103308429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).