5-[[5-(dimethylsulfamoyl)furan-2-yl]methylamino]pentanamide

C12H21N3O4S — CID 106233401

IUPAC5-[[5-(dimethylsulfamoyl)furan-2-yl]methylamino]pentanamide
SMILESCN(C)S(=O)(=O)c1ccc(CNCCCCC(N)=O)o1
InChIInChI=1S/C12H21N3O4S/c1-15(2)20(17,18)12-7-6-10(19-12)9-14-8-4-3-5-11(13)16/h6-7,14H,3-5,8-9H2,1-2H3,(H2,13,16)
InChIKeyXCAMAJUHDCVLDD-UHFFFAOYSA-N
MW303.38 g/mol
LogP0.28
Rot. Bonds9

About 5-[[5-(dimethylsulfamoyl)furan-2-yl]methylamino]pentanamide

5-[[5-(dimethylsulfamoyl)furan-2-yl]methylamino]pentanamide (PubChem CID 106233401) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is 5-[[5-(dimethylsulfamoyl)furan-2-yl]methylamino]pentanamide.

Molecular Properties

Compound Name5-[[5-(dimethylsulfamoyl)furan-2-yl]methylamino]pentanamide
PubChem CID106233401
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name5-[[5-(dimethylsulfamoyl)furan-2-yl]methylamino]pentanamide
SMILESCN(C)S(=O)(=O)c1ccc(CNCCCCC(N)=O)o1
InChIInChI=1S/C12H21N3O4S/c1-15(2)20(17,18)12-7-6-10(19-12)9-14-8-4-3-5-11(13)16/h6-7,14H,3-5,8-9H2,1-2H3,(H2,13,16)
InChIKeyXCAMAJUHDCVLDD-UHFFFAOYSA-N
XLogP0.28
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide
CID 106040255
5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide
CID 106841053
N,N-dimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]furan-2-sulfonamide
CID 106324582
5-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 63905160
2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N,N-dimethylethanesulfonamide
CID 114175071
6-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]hexanoic acid
CID 119219853
2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate
CID 83210287
5-[[(5-hydroxy-4-methylpentyl)amino]methyl]furan-2-sulfonamide
CID 106158296
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(pyrimidin-2-ylamino)propanoate
CID 55998995
5-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 81042035
4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride
CID 115595769
N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)furan-2-sulfonamide
CID 115988547

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(dimethylsulfamoyl)furan-2-yl]methylamino]pentanamide?
The IUPAC name of 5-[[5-(dimethylsulfamoyl)furan-2-yl]methylamino]pentanamide (CID 106233401) is 5-[[5-(dimethylsulfamoyl)furan-2-yl]methylamino]pentanamide.
What is the SMILES notation for 5-[[5-(dimethylsulfamoyl)furan-2-yl]methylamino]pentanamide?
The canonical SMILES for 5-[[5-(dimethylsulfamoyl)furan-2-yl]methylamino]pentanamide is CN(C)S(=O)(=O)c1ccc(CNCCCCC(N)=O)o1.
What is the InChIKey of 5-[[5-(dimethylsulfamoyl)furan-2-yl]methylamino]pentanamide?
The InChIKey is XCAMAJUHDCVLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-15(2)20(17,18)12-7-6-10(19-12)9-14-8-4-3-5-11(13)16/h6-7,14H,3-5,8-9H2,1-2H3,(H2,13,16).
What are the key properties of 5-[[5-(dimethylsulfamoyl)furan-2-yl]methylamino]pentanamide?
5-[[5-(dimethylsulfamoyl)furan-2-yl]methylamino]pentanamide has a molecular weight of 303.38 g/mol, XLogP of 0.28, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(dimethylsulfamoyl)furan-2-yl]methylamino]pentanamide is sourced from PubChem (CID 106233401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).