N-methyl-5-[(pent-4-ynylamino)methyl]furan-2-sulfonamide

C11H16N2O3S — CID 106220264

IUPACN-methyl-5-[(pent-4-ynylamino)methyl]furan-2-sulfonamide
SMILESC#CCCCNCc1ccc(S(=O)(=O)NC)o1
InChIInChI=1S/C11H16N2O3S/c1-3-4-5-8-13-9-10-6-7-11(16-10)17(14,15)12-2/h1,6-7,12-13H,4-5,8-9H2,2H3
InChIKeyBYDMDTRWVBLUOU-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.69
Rot. Bonds7

About N-methyl-5-[(pent-4-ynylamino)methyl]furan-2-sulfonamide

N-methyl-5-[(pent-4-ynylamino)methyl]furan-2-sulfonamide (PubChem CID 106220264) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-methyl-5-[(pent-4-ynylamino)methyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-5-[(pent-4-ynylamino)methyl]furan-2-sulfonamide
PubChem CID106220264
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-methyl-5-[(pent-4-ynylamino)methyl]furan-2-sulfonamide
SMILESC#CCCCNCc1ccc(S(=O)(=O)NC)o1
InChIInChI=1S/C11H16N2O3S/c1-3-4-5-8-13-9-10-6-7-11(16-10)17(14,15)12-2/h1,6-7,12-13H,4-5,8-9H2,2H3
InChIKeyBYDMDTRWVBLUOU-UHFFFAOYSA-N
XLogP0.69
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-sulfonamide
CID 106426080
N-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine
CID 103701651
5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide
CID 115405595
N-methyl-5-[(2-prop-2-enylsulfanylethylamino)methyl]furan-2-sulfonamide
CID 106425254
5-[[(4-hydroxyphenyl)methylamino]methyl]-N-methylfuran-2-sulfonamide
CID 114331390
5-(chloromethyl)-N-methylfuran-2-sulfonamide
CID 6422154
5-[[(4-hydroxycyclohexyl)methylamino]methyl]-N-methylfuran-2-sulfonamide
CID 106124948
N-methyl-5-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]furan-2-sulfonamide
CID 106379707
5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide
CID 107850325
methyl 5-[(hex-5-ynylamino)methyl]furan-2-carboxylate
CID 103923630
N-[(5-methylfuran-2-yl)methyl]but-3-yn-1-amine
CID 63655471
N-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-sulfonamide
CID 80725729

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(pent-4-ynylamino)methyl]furan-2-sulfonamide?
The IUPAC name of N-methyl-5-[(pent-4-ynylamino)methyl]furan-2-sulfonamide (CID 106220264) is N-methyl-5-[(pent-4-ynylamino)methyl]furan-2-sulfonamide.
What is the SMILES notation for N-methyl-5-[(pent-4-ynylamino)methyl]furan-2-sulfonamide?
The canonical SMILES for N-methyl-5-[(pent-4-ynylamino)methyl]furan-2-sulfonamide is C#CCCCNCc1ccc(S(=O)(=O)NC)o1.
What is the InChIKey of N-methyl-5-[(pent-4-ynylamino)methyl]furan-2-sulfonamide?
The InChIKey is BYDMDTRWVBLUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-4-5-8-13-9-10-6-7-11(16-10)17(14,15)12-2/h1,6-7,12-13H,4-5,8-9H2,2H3.
What are the key properties of N-methyl-5-[(pent-4-ynylamino)methyl]furan-2-sulfonamide?
N-methyl-5-[(pent-4-ynylamino)methyl]furan-2-sulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(pent-4-ynylamino)methyl]furan-2-sulfonamide is sourced from PubChem (CID 106220264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).