N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylfuran-2-sulfonamide

C11H20N2O3S — CID 115272540

IUPACN-(3-amino-2,2-dimethylpropyl)-N,5-dimethylfuran-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(C)(C)CN)o1
InChIInChI=1S/C11H20N2O3S/c1-9-5-6-10(16-9)17(14,15)13(4)8-11(2,3)7-12/h5-6H,7-8,12H2,1-4H3
InChIKeyNXIRQTGRVPBSQF-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.19
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylfuran-2-sulfonamide

N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylfuran-2-sulfonamide (PubChem CID 115272540) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylfuran-2-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N,5-dimethylfuran-2-sulfonamide
PubChem CID115272540
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N,5-dimethylfuran-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(C)(C)CN)o1
InChIInChI=1S/C11H20N2O3S/c1-9-5-6-10(16-9)17(14,15)13(4)8-11(2,3)7-12/h5-6H,7-8,12H2,1-4H3
InChIKeyNXIRQTGRVPBSQF-UHFFFAOYSA-N
XLogP1.19
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylfuran-2-sulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylfuran-2-sulfonamide (CID 115272540) is N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylfuran-2-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylfuran-2-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylfuran-2-sulfonamide is Cc1ccc(S(=O)(=O)N(C)CC(C)(C)CN)o1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylfuran-2-sulfonamide?
The InChIKey is NXIRQTGRVPBSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-9-5-6-10(16-9)17(14,15)13(4)8-11(2,3)7-12/h5-6H,7-8,12H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylfuran-2-sulfonamide?
N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylfuran-2-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylfuran-2-sulfonamide is sourced from PubChem (CID 115272540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).