N,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide

C14H27N3O3S — CID 106040255

IUPACN,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide
SMILESCC(C)N(C)CCCNCc1ccc(S(=O)(=O)N(C)C)o1
InChIInChI=1S/C14H27N3O3S/c1-12(2)17(5)10-6-9-15-11-13-7-8-14(20-13)21(18,19)16(3)4/h7-8,12,15H,6,9-11H2,1-5H3
InChIKeyZANUSQFVFOOQDC-UHFFFAOYSA-N
MW317.46 g/mol
LogP1.35
Rot. Bonds9

About N,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide

N,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide (PubChem CID 106040255) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide
PubChem CID106040255
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide
SMILESCC(C)N(C)CCCNCc1ccc(S(=O)(=O)N(C)C)o1
InChIInChI=1S/C14H27N3O3S/c1-12(2)17(5)10-6-9-15-11-13-7-8-14(20-13)21(18,19)16(3)4/h7-8,12,15H,6,9-11H2,1-5H3
InChIKeyZANUSQFVFOOQDC-UHFFFAOYSA-N
XLogP1.35
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[5-(dimethylsulfamoyl)furan-2-yl]methylamino]pentanamide
CID 106233401
methyl 5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-carboxylate
CID 103920409
N,N-dimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]furan-2-sulfonamide
CID 106324582
N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)furan-2-sulfonamide
CID 115988547
5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide
CID 106841053
5-[[(5-hydroxy-4-methylpentyl)amino]methyl]furan-2-sulfonamide
CID 106158296
[4-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]phenyl]methanol
CID 106045460
5-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 63905160
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methylfuran-2-sulfonamide
CID 81063705
N-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040849
N,N-dimethyl-5-[[1-(oxan-4-yl)ethylamino]methyl]furan-2-sulfonamide
CID 103914756
N'-methyl-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 106045508

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide?
The IUPAC name of N,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide (CID 106040255) is N,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide.
What is the SMILES notation for N,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide?
The canonical SMILES for N,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide is CC(C)N(C)CCCNCc1ccc(S(=O)(=O)N(C)C)o1.
What is the InChIKey of N,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide?
The InChIKey is ZANUSQFVFOOQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-12(2)17(5)10-6-9-15-11-13-7-8-14(20-13)21(18,19)16(3)4/h7-8,12,15H,6,9-11H2,1-5H3.
What are the key properties of N,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide?
N,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide has a molecular weight of 317.46 g/mol, XLogP of 1.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide is sourced from PubChem (CID 106040255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).