N-[5-(1-aminoethyl)-2-(furan-2-yl)phenyl]benzenesulfinamide

C18H18N2O2S — CID 167245504

IUPACN-[5-(1-aminoethyl)-2-(furan-2-yl)phenyl]benzenesulfinamide
SMILESCC(N)c1ccc(-c2ccco2)c(NS(=O)c2ccccc2)c1
InChIInChI=1S/C18H18N2O2S/c1-13(19)14-9-10-16(18-8-5-11-22-18)17(12-14)20-23(21)15-6-3-2-4-7-15/h2-13,20H,19H2,1H3
InChIKeySVWHWQCQKNUTHJ-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.10
Rot. Bonds5

About N-[5-(1-aminoethyl)-2-(furan-2-yl)phenyl]benzenesulfinamide

N-[5-(1-aminoethyl)-2-(furan-2-yl)phenyl]benzenesulfinamide (PubChem CID 167245504) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[5-(1-aminoethyl)-2-(furan-2-yl)phenyl]benzenesulfinamide.

Molecular Properties

Compound NameN-[5-(1-aminoethyl)-2-(furan-2-yl)phenyl]benzenesulfinamide
PubChem CID167245504
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-[5-(1-aminoethyl)-2-(furan-2-yl)phenyl]benzenesulfinamide
SMILESCC(N)c1ccc(-c2ccco2)c(NS(=O)c2ccccc2)c1
InChIInChI=1S/C18H18N2O2S/c1-13(19)14-9-10-16(18-8-5-11-22-18)17(12-14)20-23(21)15-6-3-2-4-7-15/h2-13,20H,19H2,1H3
InChIKeySVWHWQCQKNUTHJ-UHFFFAOYSA-N
XLogP4.10
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-aminoethyl)-2-(furan-2-yl)phenyl]benzenesulfinamide?
The IUPAC name of N-[5-(1-aminoethyl)-2-(furan-2-yl)phenyl]benzenesulfinamide (CID 167245504) is N-[5-(1-aminoethyl)-2-(furan-2-yl)phenyl]benzenesulfinamide.
What is the SMILES notation for N-[5-(1-aminoethyl)-2-(furan-2-yl)phenyl]benzenesulfinamide?
The canonical SMILES for N-[5-(1-aminoethyl)-2-(furan-2-yl)phenyl]benzenesulfinamide is CC(N)c1ccc(-c2ccco2)c(NS(=O)c2ccccc2)c1.
What is the InChIKey of N-[5-(1-aminoethyl)-2-(furan-2-yl)phenyl]benzenesulfinamide?
The InChIKey is SVWHWQCQKNUTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-13(19)14-9-10-16(18-8-5-11-22-18)17(12-14)20-23(21)15-6-3-2-4-7-15/h2-13,20H,19H2,1H3.
What are the key properties of N-[5-(1-aminoethyl)-2-(furan-2-yl)phenyl]benzenesulfinamide?
N-[5-(1-aminoethyl)-2-(furan-2-yl)phenyl]benzenesulfinamide has a molecular weight of 326.42 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-aminoethyl)-2-(furan-2-yl)phenyl]benzenesulfinamide is sourced from PubChem (CID 167245504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).