N-(3-amino-4-fluorophenyl)propane-1-sulfinamide

C9H13FN2OS — CID 130992661

IUPACN-(3-amino-4-fluorophenyl)propane-1-sulfinamide
SMILESCCCS(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C9H13FN2OS/c1-2-5-14(13)12-7-3-4-8(10)9(11)6-7/h3-4,6,12H,2,5,11H2,1H3
InChIKeyCWFZVKKEXVQVQC-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.89
Rot. Bonds4

About N-(3-amino-4-fluorophenyl)propane-1-sulfinamide

N-(3-amino-4-fluorophenyl)propane-1-sulfinamide (PubChem CID 130992661) has the molecular formula C9H13FN2OS and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)propane-1-sulfinamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)propane-1-sulfinamide
PubChem CID130992661
Molecular FormulaC9H13FN2OS
Molecular Weight216.28 g/mol
Exact Mass216.07
IUPAC NameN-(3-amino-4-fluorophenyl)propane-1-sulfinamide
SMILESCCCS(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C9H13FN2OS/c1-2-5-14(13)12-7-3-4-8(10)9(11)6-7/h3-4,6,12H,2,5,11H2,1H3
InChIKeyCWFZVKKEXVQVQC-UHFFFAOYSA-N
XLogP1.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)propane-1-sulfinamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)propane-1-sulfinamide (CID 130992661) is N-(3-amino-4-fluorophenyl)propane-1-sulfinamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)propane-1-sulfinamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)propane-1-sulfinamide is CCCS(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)propane-1-sulfinamide?
The InChIKey is CWFZVKKEXVQVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2OS/c1-2-5-14(13)12-7-3-4-8(10)9(11)6-7/h3-4,6,12H,2,5,11H2,1H3.
What are the key properties of N-(3-amino-4-fluorophenyl)propane-1-sulfinamide?
N-(3-amino-4-fluorophenyl)propane-1-sulfinamide has a molecular weight of 216.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)propane-1-sulfinamide is sourced from PubChem (CID 130992661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).