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

C10H15N5O3S — CID 106067984

IUPAC5-(aminomethyl)-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide
SMILESCc1oc(CN)cc1S(=O)(=O)NCCc1ncn[nH]1
InChIInChI=1S/C10H15N5O3S/c1-7-9(4-8(5-11)18-7)19(16,17)14-3-2-10-12-6-13-15-10/h4,6,14H,2-3,5,11H2,1H3,(H,12,13,15)
InChIKeyGFHUHQFNSDARFR-UHFFFAOYSA-N
MW285.33 g/mol
LogP-0.31
Rot. Bonds6

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

5-(aminomethyl)-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide (PubChem CID 106067984) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide
PubChem CID106067984
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC Name5-(aminomethyl)-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide
SMILESCc1oc(CN)cc1S(=O)(=O)NCCc1ncn[nH]1
InChIInChI=1S/C10H15N5O3S/c1-7-9(4-8(5-11)18-7)19(16,17)14-3-2-10-12-6-13-15-10/h4,6,14H,2-3,5,11H2,1H3,(H,12,13,15)
InChIKeyGFHUHQFNSDARFR-UHFFFAOYSA-N
XLogP-0.31
TPSA126.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylfuran-3-sulfonamide
CID 106085167
2-bromo-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide
CID 106068044
2-amino-4-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64518578
2-methyl-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106067958
5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
CID 106059070
3-amino-2-bromo-5-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64519149
2-amino-5-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64525350
2,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzenesulfonamide
CID 64531495
5-(aminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 64531590
2-amino-5-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64525550
5-(aminomethyl)-N-[2-(diethylamino)ethyl]-2-methylfuran-3-sulfonamide
CID 106034427
2-amino-4-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzenesulfonamide
CID 64517997

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide (CID 106067984) is 5-(aminomethyl)-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide is Cc1oc(CN)cc1S(=O)(=O)NCCc1ncn[nH]1.
What is the InChIKey of 5-(aminomethyl)-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide?
The InChIKey is GFHUHQFNSDARFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c1-7-9(4-8(5-11)18-7)19(16,17)14-3-2-10-12-6-13-15-10/h4,6,14H,2-3,5,11H2,1H3,(H,12,13,15).
What are the key properties of 5-(aminomethyl)-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide?
5-(aminomethyl)-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide has a molecular weight of 285.33 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide is sourced from PubChem (CID 106067984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).