4-(2-aminoethyl)benzenesulfinamide

C8H12N2OS — CID 145139569

IUPAC4-(2-aminoethyl)benzenesulfinamide
SMILESNCCc1ccc(S(N)=O)cc1
InChIInChI=1S/C8H12N2OS/c9-6-5-7-1-3-8(4-2-7)12(10)11/h1-4H,5-6,9-10H2
InChIKeyFVTZAKDEWDVMIJ-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.17
Rot. Bonds3

About 4-(2-aminoethyl)benzenesulfinamide

4-(2-aminoethyl)benzenesulfinamide (PubChem CID 145139569) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 4-(2-aminoethyl)benzenesulfinamide.

Molecular Properties

Compound Name4-(2-aminoethyl)benzenesulfinamide
PubChem CID145139569
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name4-(2-aminoethyl)benzenesulfinamide
SMILESNCCc1ccc(S(N)=O)cc1
InChIInChI=1S/C8H12N2OS/c9-6-5-7-1-3-8(4-2-7)12(10)11/h1-4H,5-6,9-10H2
InChIKeyFVTZAKDEWDVMIJ-UHFFFAOYSA-N
XLogP0.17
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)benzenesulfinamide?
The IUPAC name of 4-(2-aminoethyl)benzenesulfinamide (CID 145139569) is 4-(2-aminoethyl)benzenesulfinamide.
What is the SMILES notation for 4-(2-aminoethyl)benzenesulfinamide?
The canonical SMILES for 4-(2-aminoethyl)benzenesulfinamide is NCCc1ccc(S(N)=O)cc1.
What is the InChIKey of 4-(2-aminoethyl)benzenesulfinamide?
The InChIKey is FVTZAKDEWDVMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c9-6-5-7-1-3-8(4-2-7)12(10)11/h1-4H,5-6,9-10H2.
What are the key properties of 4-(2-aminoethyl)benzenesulfinamide?
4-(2-aminoethyl)benzenesulfinamide has a molecular weight of 184.26 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)benzenesulfinamide is sourced from PubChem (CID 145139569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).