5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-sulfonamide

C10H15N5O3S — CID 80686088

IUPAC5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-sulfonamide
SMILESCn1cnc(CCNS(=O)(=O)c2ccc(CN)o2)n1
InChIInChI=1S/C10H15N5O3S/c1-15-7-12-9(14-15)4-5-13-19(16,17)10-3-2-8(6-11)18-10/h2-3,7,13H,4-6,11H2,1H3
InChIKeyYSPMAUPZTRAIAG-UHFFFAOYSA-N
MW285.33 g/mol
LogP-0.61
Rot. Bonds6

About 5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-sulfonamide

5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-sulfonamide (PubChem CID 80686088) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-sulfonamide
PubChem CID80686088
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC Name5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-sulfonamide
SMILESCn1cnc(CCNS(=O)(=O)c2ccc(CN)o2)n1
InChIInChI=1S/C10H15N5O3S/c1-15-7-12-9(14-15)4-5-13-19(16,17)10-3-2-8(6-11)18-10/h2-3,7,13H,4-6,11H2,1H3
InChIKeyYSPMAUPZTRAIAG-UHFFFAOYSA-N
XLogP-0.61
TPSA116.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 80689627
2-amino-6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 80681368
5-(aminomethyl)-N-(2-ethylsulfonylethyl)furan-2-sulfonamide
CID 114112494
5-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-sulfonamide
CID 106085204
5-(aminomethyl)-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106073578
2-amino-4,6-dichloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 80684988
5-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]furan-2-sulfonamide
CID 106050572
5-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]furan-2-sulfonamide
CID 114516893
5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide
CID 106106529
4-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]butane-1-sulfonamide
CID 80682072
3-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propylpyrazole-4-sulfonamide
CID 80683751
5-(methylaminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]furan-2-sulfonamide
CID 80686304

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-sulfonamide (CID 80686088) is 5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-sulfonamide is Cn1cnc(CCNS(=O)(=O)c2ccc(CN)o2)n1.
What is the InChIKey of 5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-sulfonamide?
The InChIKey is YSPMAUPZTRAIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c1-15-7-12-9(14-15)4-5-13-19(16,17)10-3-2-8(6-11)18-10/h2-3,7,13H,4-6,11H2,1H3.
What are the key properties of 5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-sulfonamide?
5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-sulfonamide has a molecular weight of 285.33 g/mol, XLogP of -0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-sulfonamide is sourced from PubChem (CID 80686088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).