3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropan-1-amine

C12H18FNOS — CID 64657510

IUPAC3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCS(=O)c1ccc(F)cc1
InChIInChI=1S/C12H18FNOS/c1-10(2)14-8-3-9-16(15)12-6-4-11(13)5-7-12/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeySGLQEEQWZHRZHV-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.32
Rot. Bonds6

About 3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropan-1-amine

3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropan-1-amine (PubChem CID 64657510) has the molecular formula C12H18FNOS and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropan-1-amine
PubChem CID64657510
Molecular FormulaC12H18FNOS
Molecular Weight243.35 g/mol
Exact Mass243.11
IUPAC Name3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCS(=O)c1ccc(F)cc1
InChIInChI=1S/C12H18FNOS/c1-10(2)14-8-3-9-16(15)12-6-4-11(13)5-7-12/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeySGLQEEQWZHRZHV-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-fluorophenyl)sulfinylpropyl]-2-methylpropan-1-amine
CID 64657509
3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide
CID 63792984
3-(4-fluorophenyl)sulfinylpropan-1-amine
CID 58684769
N-[2-(4-fluorophenyl)sulfinylethyl]propan-1-amine
CID 64659465
tert-butyl N-[3-(4-fluorophenyl)sulfinylpropyl]carbamate
CID 142223161
6-(4-fluorophenyl)sulfinylhexan-2-one
CID 64635188
1-fluoro-4-(4-phenylbutylsulfinyl)benzene
CID 114334866
3-(2,4-dimethylphenyl)sulfinyl-N-propan-2-ylpropan-1-amine
CID 64658901
3-methylsulfinyl-N-propan-2-ylpropan-1-amine
CID 64655620
N-(4-fluorophenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54973645
N-[2-(4-fluorophenyl)sulfinyl-1-phenylethyl]propan-1-amine
CID 64657503
N-[3-(4-tert-butylphenyl)sulfinylpropyl]-2-methylpropan-1-amine
CID 64653845

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropan-1-amine (CID 64657510) is 3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropan-1-amine is CC(C)NCCCS(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropan-1-amine?
The InChIKey is SGLQEEQWZHRZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNOS/c1-10(2)14-8-3-9-16(15)12-6-4-11(13)5-7-12/h4-7,10,14H,3,8-9H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropan-1-amine?
3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 64657510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).