5-(aminomethyl)-2-bromo-N-(2-cyclopropylpropan-2-yl)furan-3-sulfonamide

C11H17BrN2O3S — CID 106091146

IUPAC5-(aminomethyl)-2-bromo-N-(2-cyclopropylpropan-2-yl)furan-3-sulfonamide
SMILESCC(C)(NS(=O)(=O)c1cc(CN)oc1Br)C1CC1
InChIInChI=1S/C11H17BrN2O3S/c1-11(2,7-3-4-7)14-18(15,16)9-5-8(6-13)17-10(9)12/h5,7,14H,3-4,6,13H2,1-2H3
InChIKeyDDLWVSRSSQTPBL-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.97
Rot. Bonds5

About 5-(aminomethyl)-2-bromo-N-(2-cyclopropylpropan-2-yl)furan-3-sulfonamide

5-(aminomethyl)-2-bromo-N-(2-cyclopropylpropan-2-yl)furan-3-sulfonamide (PubChem CID 106091146) has the molecular formula C11H17BrN2O3S and a molecular weight of 337.24 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(2-cyclopropylpropan-2-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(2-cyclopropylpropan-2-yl)furan-3-sulfonamide
PubChem CID106091146
Molecular FormulaC11H17BrN2O3S
Molecular Weight337.24 g/mol
Exact Mass336.01
IUPAC Name5-(aminomethyl)-2-bromo-N-(2-cyclopropylpropan-2-yl)furan-3-sulfonamide
SMILESCC(C)(NS(=O)(=O)c1cc(CN)oc1Br)C1CC1
InChIInChI=1S/C11H17BrN2O3S/c1-11(2,7-3-4-7)14-18(15,16)9-5-8(6-13)17-10(9)12/h5,7,14H,3-4,6,13H2,1-2H3
InChIKeyDDLWVSRSSQTPBL-UHFFFAOYSA-N
XLogP1.97
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(aminomethyl)-2-bromo-N-(2-cyclopropylpropan-2-yl)furan-3-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-(aminomethyl)-2-bromo-N-(2-methyloxolan-3-yl)furan-3-sulfonamide
CID 106076206
5-(aminomethyl)-2-bromo-N-(2-ethylcyclohexyl)furan-3-sulfonamide
CID 106002889
5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide
CID 106074764
5-(aminomethyl)-2-bromo-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106090773
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]furan-3-sulfonamide
CID 114138879
2-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide
CID 103697721
4-amino-N-(2-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide
CID 114110390
5-(aminomethyl)-2-bromo-N-(3-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106091344
5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-2-methoxybenzenesulfonamide
CID 106091059
5-(aminomethyl)-2-bromo-N-(1-phenylpropyl)furan-3-sulfonamide
CID 106055076
N-(2-cyclopropylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106091261
5-(aminomethyl)-2-bromo-N-[(1-methylsulfanylcyclopentyl)methyl]furan-3-sulfonamide
CID 106090522

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(2-cyclopropylpropan-2-yl)furan-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(2-cyclopropylpropan-2-yl)furan-3-sulfonamide (CID 106091146) is 5-(aminomethyl)-2-bromo-N-(2-cyclopropylpropan-2-yl)furan-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(2-cyclopropylpropan-2-yl)furan-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(2-cyclopropylpropan-2-yl)furan-3-sulfonamide is CC(C)(NS(=O)(=O)c1cc(CN)oc1Br)C1CC1.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(2-cyclopropylpropan-2-yl)furan-3-sulfonamide?
The InChIKey is DDLWVSRSSQTPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S/c1-11(2,7-3-4-7)14-18(15,16)9-5-8(6-13)17-10(9)12/h5,7,14H,3-4,6,13H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(2-cyclopropylpropan-2-yl)furan-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-(2-cyclopropylpropan-2-yl)furan-3-sulfonamide has a molecular weight of 337.24 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-(2-cyclopropylpropan-2-yl)furan-3-sulfonamide is sourced from PubChem (CID 106091146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).