N,N-dimethyl-5-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]furan-2-sulfonamide

C11H17N5O3S — CID 106281628

IUPACN,N-dimethyl-5-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]furan-2-sulfonamide
SMILESCC(NCc1ccc(S(=O)(=O)N(C)C)o1)c1ncn[nH]1
InChIInChI=1S/C11H17N5O3S/c1-8(11-13-7-14-15-11)12-6-9-4-5-10(19-9)20(17,18)16(2)3/h4-5,7-8,12H,6H2,1-3H3,(H,13,14,15)
InChIKeyFEWKVRLSLVIPTO-UHFFFAOYSA-N
MW299.36 g/mol
LogP0.50
Rot. Bonds6

About N,N-dimethyl-5-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]furan-2-sulfonamide

N,N-dimethyl-5-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]furan-2-sulfonamide (PubChem CID 106281628) has the molecular formula C11H17N5O3S and a molecular weight of 299.36 g/mol. Its IUPAC name is N,N-dimethyl-5-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]furan-2-sulfonamide
PubChem CID106281628
Molecular FormulaC11H17N5O3S
Molecular Weight299.36 g/mol
Exact Mass299.11
IUPAC NameN,N-dimethyl-5-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]furan-2-sulfonamide
SMILESCC(NCc1ccc(S(=O)(=O)N(C)C)o1)c1ncn[nH]1
InChIInChI=1S/C11H17N5O3S/c1-8(11-13-7-14-15-11)12-6-9-4-5-10(19-9)20(17,18)16(2)3/h4-5,7-8,12H,6H2,1-3H3,(H,13,14,15)
InChIKeyFEWKVRLSLVIPTO-UHFFFAOYSA-N
XLogP0.50
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-5-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]furan-2-sulfonamide with MolForge

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106281571
N,N-dimethyl-5-[[1-(oxan-4-yl)ethylamino]methyl]furan-2-sulfonamide
CID 103914756
N,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide
CID 106040255
N,N-dimethyl-5-[[(2-methyl-3-pyridinyl)amino]methyl]furan-2-sulfonamide
CID 79042214
N-[(4-methylphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103952879
5-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 63905160
4-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]benzoic acid
CID 114167925
2-bromo-5-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide
CID 106283959
N-[(2-bromophenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103886572
5-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide
CID 81351138
2-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
CID 106281568
N-[(3-bromo-4-chlorophenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 114167935

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]furan-2-sulfonamide?
The IUPAC name of N,N-dimethyl-5-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]furan-2-sulfonamide (CID 106281628) is N,N-dimethyl-5-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]furan-2-sulfonamide.
What is the SMILES notation for N,N-dimethyl-5-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]furan-2-sulfonamide?
The canonical SMILES for N,N-dimethyl-5-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]furan-2-sulfonamide is CC(NCc1ccc(S(=O)(=O)N(C)C)o1)c1ncn[nH]1.
What is the InChIKey of N,N-dimethyl-5-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]furan-2-sulfonamide?
The InChIKey is FEWKVRLSLVIPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3S/c1-8(11-13-7-14-15-11)12-6-9-4-5-10(19-9)20(17,18)16(2)3/h4-5,7-8,12H,6H2,1-3H3,(H,13,14,15).
What are the key properties of N,N-dimethyl-5-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]furan-2-sulfonamide?
N,N-dimethyl-5-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]furan-2-sulfonamide has a molecular weight of 299.36 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]furan-2-sulfonamide is sourced from PubChem (CID 106281628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).