3-(4-nitrosophenyl)sulfonylpropan-1-amine

C9H12N2O3S — CID 149118924

IUPAC3-(4-nitrosophenyl)sulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)c1ccc(N=O)cc1
InChIInChI=1S/C9H12N2O3S/c10-6-1-7-15(13,14)9-4-2-8(11-12)3-5-9/h2-5H,1,6-7,10H2
InChIKeyQZDABYOVDWXPQB-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.21
Rot. Bonds5

About 3-(4-nitrosophenyl)sulfonylpropan-1-amine

3-(4-nitrosophenyl)sulfonylpropan-1-amine (PubChem CID 149118924) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 3-(4-nitrosophenyl)sulfonylpropan-1-amine.

Molecular Properties

Compound Name3-(4-nitrosophenyl)sulfonylpropan-1-amine
PubChem CID149118924
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name3-(4-nitrosophenyl)sulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)c1ccc(N=O)cc1
InChIInChI=1S/C9H12N2O3S/c10-6-1-7-15(13,14)9-4-2-8(11-12)3-5-9/h2-5H,1,6-7,10H2
InChIKeyQZDABYOVDWXPQB-UHFFFAOYSA-N
XLogP1.21
TPSA89.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-nitrosophenyl)sulfonylpropan-1-amine?
The IUPAC name of 3-(4-nitrosophenyl)sulfonylpropan-1-amine (CID 149118924) is 3-(4-nitrosophenyl)sulfonylpropan-1-amine.
What is the SMILES notation for 3-(4-nitrosophenyl)sulfonylpropan-1-amine?
The canonical SMILES for 3-(4-nitrosophenyl)sulfonylpropan-1-amine is NCCCS(=O)(=O)c1ccc(N=O)cc1.
What is the InChIKey of 3-(4-nitrosophenyl)sulfonylpropan-1-amine?
The InChIKey is QZDABYOVDWXPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c10-6-1-7-15(13,14)9-4-2-8(11-12)3-5-9/h2-5H,1,6-7,10H2.
What are the key properties of 3-(4-nitrosophenyl)sulfonylpropan-1-amine?
3-(4-nitrosophenyl)sulfonylpropan-1-amine has a molecular weight of 228.27 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitrosophenyl)sulfonylpropan-1-amine is sourced from PubChem (CID 149118924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).