N-[2-(cyclopenten-1-yl)ethyl]-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide

C15H24N2O3S — CID 106177078

IUPACN-[2-(cyclopenten-1-yl)ethyl]-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)NCCC2=CCCC2)o1
InChIInChI=1S/C15H24N2O3S/c1-12(2)16-11-14-7-8-15(20-14)21(18,19)17-10-9-13-5-3-4-6-13/h5,7-8,12,16-17H,3-4,6,9-11H2,1-2H3
InChIKeySZZROGFRVWYBIJ-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.56
Rot. Bonds8

About N-[2-(cyclopenten-1-yl)ethyl]-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide

N-[2-(cyclopenten-1-yl)ethyl]-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide (PubChem CID 106177078) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
PubChem CID106177078
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)NCCC2=CCCC2)o1
InChIInChI=1S/C15H24N2O3S/c1-12(2)16-11-14-7-8-15(20-14)21(18,19)17-10-9-13-5-3-4-6-13/h5,7-8,12,16-17H,3-4,6,9-11H2,1-2H3
InChIKeySZZROGFRVWYBIJ-UHFFFAOYSA-N
XLogP2.56
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(cyclopenten-1-yl)ethyl]-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(propan-2-ylamino)methyl]-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide
CID 106433444
5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)furan-2-sulfonamide
CID 82940349
N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 102701241
5-[(propan-2-ylamino)methyl]-N-pyrimidin-5-ylfuran-2-sulfonamide
CID 106088603
4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 107855942
4-[2-(cyclopenten-1-yl)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 106168071
N-(3,3-dimethylcyclopentyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 114541502
3-bromo-4-chloro-N-[2-(cyclopenten-1-yl)ethyl]benzenesulfonamide
CID 106174188
2-(cyclopenten-1-yl)-N-[(5-iodofuran-2-yl)methyl]ethanamine
CID 106169331
N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 106150784
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 106164705
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-fluorobenzenesulfonamide
CID 106164553

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide (CID 106177078) is N-[2-(cyclopenten-1-yl)ethyl]-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide is CC(C)NCc1ccc(S(=O)(=O)NCCC2=CCCC2)o1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide?
The InChIKey is SZZROGFRVWYBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(2)16-11-14-7-8-15(20-14)21(18,19)17-10-9-13-5-3-4-6-13/h5,7-8,12,16-17H,3-4,6,9-11H2,1-2H3.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide?
N-[2-(cyclopenten-1-yl)ethyl]-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide is sourced from PubChem (CID 106177078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).