1-phenyl-2-propylsulfinylethanamine

C11H17NOS — CID 64653199

IUPAC1-phenyl-2-propylsulfinylethanamine
SMILESCCCS(=O)CC(N)c1ccccc1
InChIInChI=1S/C11H17NOS/c1-2-8-14(13)9-11(12)10-6-4-3-5-7-10/h3-7,11H,2,8-9,12H2,1H3
InChIKeyYGMSXSVUMRYDQI-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.85
Rot. Bonds5

About 1-phenyl-2-propylsulfinylethanamine

1-phenyl-2-propylsulfinylethanamine (PubChem CID 64653199) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-phenyl-2-propylsulfinylethanamine.

Molecular Properties

Compound Name1-phenyl-2-propylsulfinylethanamine
PubChem CID64653199
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name1-phenyl-2-propylsulfinylethanamine
SMILESCCCS(=O)CC(N)c1ccccc1
InChIInChI=1S/C11H17NOS/c1-2-8-14(13)9-11(12)10-6-4-3-5-7-10/h3-7,11H,2,8-9,12H2,1H3
InChIKeyYGMSXSVUMRYDQI-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-pentylsulfinyl-1-phenylethanamine
CID 107758816
1-naphthalen-1-yl-2-propylsulfinylethanamine
CID 64653401
1-(2-methoxyphenyl)-2-propylsulfinylethanamine
CID 64652580
2-tert-butylsulfinyl-1-phenylethanamine
CID 64651527
2-pentylsulfinyl-1-(4-propylphenyl)ethanamine
CID 107758972
1-(2-methoxy-5-methylphenyl)-2-propylsulfinylethanamine
CID 64653186
N-methyl-1-(4-phenylphenyl)-2-propylsulfinylethanamine
CID 64652573
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
2-ethylsulfinyl-1-naphthalen-2-ylethanamine
CID 64652322
2-(3,4-dimethylphenyl)sulfinyl-1-phenylethanamine
CID 64659861
1-(2-phenylethylsulfinyl)propan-2-amine
CID 81188268
1-phenyldecan-1-amine
CID 43175860

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-propylsulfinylethanamine?
The IUPAC name of 1-phenyl-2-propylsulfinylethanamine (CID 64653199) is 1-phenyl-2-propylsulfinylethanamine.
What is the SMILES notation for 1-phenyl-2-propylsulfinylethanamine?
The canonical SMILES for 1-phenyl-2-propylsulfinylethanamine is CCCS(=O)CC(N)c1ccccc1.
What is the InChIKey of 1-phenyl-2-propylsulfinylethanamine?
The InChIKey is YGMSXSVUMRYDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-2-8-14(13)9-11(12)10-6-4-3-5-7-10/h3-7,11H,2,8-9,12H2,1H3.
What are the key properties of 1-phenyl-2-propylsulfinylethanamine?
1-phenyl-2-propylsulfinylethanamine has a molecular weight of 211.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-propylsulfinylethanamine is sourced from PubChem (CID 64653199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).