5-(methylaminomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-2-sulfonamide

C11H17N5O3S — CID 106068159

IUPAC5-(methylaminomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCCc2ncn[nH]2)o1
InChIInChI=1S/C11H17N5O3S/c1-12-7-9-4-5-11(19-9)20(17,18)15-6-2-3-10-13-8-14-16-10/h4-5,8,12,15H,2-3,6-7H2,1H3,(H,13,14,16)
InChIKeyUTMCHYHLABNXLV-UHFFFAOYSA-N
MW299.36 g/mol
LogP0.03
Rot. Bonds8

About 5-(methylaminomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-2-sulfonamide

5-(methylaminomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-2-sulfonamide (PubChem CID 106068159) has the molecular formula C11H17N5O3S and a molecular weight of 299.36 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-2-sulfonamide
PubChem CID106068159
Molecular FormulaC11H17N5O3S
Molecular Weight299.36 g/mol
Exact Mass299.11
IUPAC Name5-(methylaminomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCCc2ncn[nH]2)o1
InChIInChI=1S/C11H17N5O3S/c1-12-7-9-4-5-11(19-9)20(17,18)15-6-2-3-10-13-8-14-16-10/h4-5,8,12,15H,2-3,6-7H2,1H3,(H,13,14,16)
InChIKeyUTMCHYHLABNXLV-UHFFFAOYSA-N
XLogP0.03
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide
CID 106068044
5-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-sulfonamide
CID 114137289
4-methyl-5-(methylaminomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-sulfonamide
CID 106068124
N-(4-hydroxypentyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106137737
4-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64531771
5-(methylaminomethyl)-N-[2-(methylsulfamoyl)ethyl]furan-2-sulfonamide
CID 106342936
2-amino-4-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzenesulfonamide
CID 64517997
1-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide
CID 64523562
2,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzenesulfonamide
CID 64531495
2-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzenesulfonamide
CID 64530073
5-(aminomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-sulfonamide
CID 64531762
4-(cyanomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzenesulfonamide
CID 79186384

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-2-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-2-sulfonamide (CID 106068159) is 5-(methylaminomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-2-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-2-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-2-sulfonamide is CNCc1ccc(S(=O)(=O)NCCCc2ncn[nH]2)o1.
What is the InChIKey of 5-(methylaminomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-2-sulfonamide?
The InChIKey is UTMCHYHLABNXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3S/c1-12-7-9-4-5-11(19-9)20(17,18)15-6-2-3-10-13-8-14-16-10/h4-5,8,12,15H,2-3,6-7H2,1H3,(H,13,14,16).
What are the key properties of 5-(methylaminomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-2-sulfonamide?
5-(methylaminomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-2-sulfonamide has a molecular weight of 299.36 g/mol, XLogP of 0.03, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-2-sulfonamide is sourced from PubChem (CID 106068159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).