3-(4-fluorophenyl)sulfinyl-N-propylheptan-4-amine

C16H26FNOS — CID 64657309

IUPAC3-(4-fluorophenyl)sulfinyl-N-propylheptan-4-amine
SMILESCCCNC(CCC)C(CC)S(=O)c1ccc(F)cc1
InChIInChI=1S/C16H26FNOS/c1-4-7-15(18-12-5-2)16(6-3)20(19)14-10-8-13(17)9-11-14/h8-11,15-16,18H,4-7,12H2,1-3H3
InChIKeyMRJYNFSXIQVBQC-UHFFFAOYSA-N
MW299.45 g/mol
LogP3.88
Rot. Bonds9

About 3-(4-fluorophenyl)sulfinyl-N-propylheptan-4-amine

3-(4-fluorophenyl)sulfinyl-N-propylheptan-4-amine (PubChem CID 64657309) has the molecular formula C16H26FNOS and a molecular weight of 299.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfinyl-N-propylheptan-4-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfinyl-N-propylheptan-4-amine
PubChem CID64657309
Molecular FormulaC16H26FNOS
Molecular Weight299.45 g/mol
Exact Mass299.17
IUPAC Name3-(4-fluorophenyl)sulfinyl-N-propylheptan-4-amine
SMILESCCCNC(CCC)C(CC)S(=O)c1ccc(F)cc1
InChIInChI=1S/C16H26FNOS/c1-4-7-15(18-12-5-2)16(6-3)20(19)14-10-8-13(17)9-11-14/h8-11,15-16,18H,4-7,12H2,1-3H3
InChIKeyMRJYNFSXIQVBQC-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluorophenyl)sulfinyl-N-propylheptan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-chlorophenyl)sulfinyl-N-propylheptan-4-amine
CID 64658249
3-(2-methylphenyl)sulfinyl-N-propylheptan-4-amine
CID 64655566
3-(2-chlorophenyl)sulfinyl-N-propylheptan-4-amine
CID 64659442
2-(4-fluorophenyl)sulfinyl-N-methyl-1-phenylbutan-1-amine
CID 64658287
2-(4-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide
CID 63792090
1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
1-(4-fluorophenyl)-2-(propylamino)butan-1-ol
CID 82313150
N-ethyl-3-thiophen-2-ylsulfinylheptan-4-amine
CID 64651350
N-[2-(4-fluorophenyl)sulfinyl-1-phenylethyl]propan-1-amine
CID 64657503
N-[2-(4-fluorophenyl)sulfinylethyl]propan-1-amine
CID 64659465
2-(4-fluorophenyl)sulfonyl-N-propylpentan-3-amine
CID 64640406
3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896932

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfinyl-N-propylheptan-4-amine?
The IUPAC name of 3-(4-fluorophenyl)sulfinyl-N-propylheptan-4-amine (CID 64657309) is 3-(4-fluorophenyl)sulfinyl-N-propylheptan-4-amine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfinyl-N-propylheptan-4-amine?
The canonical SMILES for 3-(4-fluorophenyl)sulfinyl-N-propylheptan-4-amine is CCCNC(CCC)C(CC)S(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfinyl-N-propylheptan-4-amine?
The InChIKey is MRJYNFSXIQVBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNOS/c1-4-7-15(18-12-5-2)16(6-3)20(19)14-10-8-13(17)9-11-14/h8-11,15-16,18H,4-7,12H2,1-3H3.
What are the key properties of 3-(4-fluorophenyl)sulfinyl-N-propylheptan-4-amine?
3-(4-fluorophenyl)sulfinyl-N-propylheptan-4-amine has a molecular weight of 299.45 g/mol, XLogP of 3.88, 9 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-propylheptan-4-amine is sourced from PubChem (CID 64657309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).