N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylfuran-2-carboxamide

C11H19N3O4S — CID 119569299

IUPACN-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylfuran-2-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C11H19N3O4S/c1-3-11(4-2,7-12)14-10(15)8-5-6-9(18-8)19(13,16)17/h5-6H,3-4,7,12H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyWUPXHYYWLMZGOR-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.17
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylfuran-2-carboxamide

N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylfuran-2-carboxamide (PubChem CID 119569299) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylfuran-2-carboxamide
PubChem CID119569299
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylfuran-2-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C11H19N3O4S/c1-3-11(4-2,7-12)14-10(15)8-5-6-9(18-8)19(13,16)17/h5-6H,3-4,7,12H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyWUPXHYYWLMZGOR-UHFFFAOYSA-N
XLogP0.17
TPSA128.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-5-(methoxymethyl)furan-2-carboxamide
CID 119569164
N-butyl-5-sulfamoylfuran-2-carboxamide
CID 47175951
N-[1-chloro-2-(chloromethyl)butan-2-yl]-5-methylfuran-2-carboxamide
CID 107867537
N-(2-methylpropyl)-5-sulfamoylfuran-2-carboxamide
CID 47318772
N-(2-ethylphenyl)-5-sulfamoylfuran-2-carboxamide
CID 47176444
5-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]furan-2-sulfonamide
CID 107865049
N-[3-(aminomethyl)pentan-3-yl]-2,6-dihydroxybenzamide
CID 107690286
N-(1-aminohexan-2-yl)-5-sulfamoylfuran-2-carboxamide;hydrochloride
CID 119665591
methyl 5-sulfamoylfuran-2-carboxylate
CID 3146896
N-[3-(aminomethyl)pentan-3-yl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
CID 119572156
N-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride
CID 119571299
N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethylsulfonylmethyl)benzamide;hydrochloride
CID 119572048

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylfuran-2-carboxamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylfuran-2-carboxamide (CID 119569299) is N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylfuran-2-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylfuran-2-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylfuran-2-carboxamide is CCC(CC)(CN)NC(=O)c1ccc(S(N)(=O)=O)o1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylfuran-2-carboxamide?
The InChIKey is WUPXHYYWLMZGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-3-11(4-2,7-12)14-10(15)8-5-6-9(18-8)19(13,16)17/h5-6H,3-4,7,12H2,1-2H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylfuran-2-carboxamide?
N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylfuran-2-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylfuran-2-carboxamide is sourced from PubChem (CID 119569299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).