1-(2-phenylethylsulfinyl)propan-2-amine

C11H17NOS — CID 81188268

IUPAC1-(2-phenylethylsulfinyl)propan-2-amine
SMILESCC(N)CS(=O)CCc1ccccc1
InChIInChI=1S/C11H17NOS/c1-10(12)9-14(13)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9,12H2,1H3
InChIKeyVWLCKKIZMFJKBA-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.33
Rot. Bonds5

About 1-(2-phenylethylsulfinyl)propan-2-amine

1-(2-phenylethylsulfinyl)propan-2-amine (PubChem CID 81188268) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-(2-phenylethylsulfinyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-phenylethylsulfinyl)propan-2-amine
PubChem CID81188268
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name1-(2-phenylethylsulfinyl)propan-2-amine
SMILESCC(N)CS(=O)CCc1ccccc1
InChIInChI=1S/C11H17NOS/c1-10(12)9-14(13)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9,12H2,1H3
InChIKeyVWLCKKIZMFJKBA-UHFFFAOYSA-N
XLogP1.33
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-phenylmethoxypropylsulfinyl)propan-2-amine
CID 130588791
2-methyl-3-(3-phenylpropylsulfinyl)propan-1-amine
CID 81201119
(2S)-4-phenylbutan-2-amine
CID 6994564
trimethyl-[2-(2-phenylethylsulfinyl)ethyl]silane
CID 177456308
1-[2-(2-methylpyrazol-3-yl)ethylsulfinyl]propan-2-amine
CID 103020461
1-[(3-fluorophenyl)methylsulfinyl]propan-2-amine
CID 81189316
1-[(2-methylphenyl)methylsulfinyl]propan-2-amine
CID 64659194
2-aminopropan-1-ol;2-phenylethanol
CID 174837900
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
4-(4-phenylbutylsulfinyl)butylbenzene
CID 66797089
sodium 2-phenylethanesulfinate
CID 23702947
1-phenyl-2-propylsulfinylethanamine
CID 64653199

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethylsulfinyl)propan-2-amine?
The IUPAC name of 1-(2-phenylethylsulfinyl)propan-2-amine (CID 81188268) is 1-(2-phenylethylsulfinyl)propan-2-amine.
What is the SMILES notation for 1-(2-phenylethylsulfinyl)propan-2-amine?
The canonical SMILES for 1-(2-phenylethylsulfinyl)propan-2-amine is CC(N)CS(=O)CCc1ccccc1.
What is the InChIKey of 1-(2-phenylethylsulfinyl)propan-2-amine?
The InChIKey is VWLCKKIZMFJKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-10(12)9-14(13)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9,12H2,1H3.
What are the key properties of 1-(2-phenylethylsulfinyl)propan-2-amine?
1-(2-phenylethylsulfinyl)propan-2-amine has a molecular weight of 211.33 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethylsulfinyl)propan-2-amine is sourced from PubChem (CID 81188268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).