2-(2-methyloxolan-3-yl)sulfinyl-1-phenyl-N-propylpropan-1-amine

C17H27NO2S — CID 107758340

IUPAC2-(2-methyloxolan-3-yl)sulfinyl-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccccc1)C(C)S(=O)C1CCOC1C
InChIInChI=1S/C17H27NO2S/c1-4-11-18-17(15-8-6-5-7-9-15)14(3)21(19)16-10-12-20-13(16)2/h5-9,13-14,16-18H,4,10-12H2,1-3H3
InChIKeyFBVSBKDXELQLGK-UHFFFAOYSA-N
MW309.47 g/mol
LogP3.04
Rot. Bonds7

About 2-(2-methyloxolan-3-yl)sulfinyl-1-phenyl-N-propylpropan-1-amine

2-(2-methyloxolan-3-yl)sulfinyl-1-phenyl-N-propylpropan-1-amine (PubChem CID 107758340) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is 2-(2-methyloxolan-3-yl)sulfinyl-1-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(2-methyloxolan-3-yl)sulfinyl-1-phenyl-N-propylpropan-1-amine
PubChem CID107758340
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC Name2-(2-methyloxolan-3-yl)sulfinyl-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccccc1)C(C)S(=O)C1CCOC1C
InChIInChI=1S/C17H27NO2S/c1-4-11-18-17(15-8-6-5-7-9-15)14(3)21(19)16-10-12-20-13(16)2/h5-9,13-14,16-18H,4,10-12H2,1-3H3
InChIKeyFBVSBKDXELQLGK-UHFFFAOYSA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyloxolan-3-yl)sulfinyl-1-phenylpropan-1-amine
CID 107758244
N-ethyl-3-methyl-2-(2-methyloxolan-3-yl)sulfanyl-1-phenylbutan-1-amine
CID 107762768
2-ethylsulfinyl-3-methyl-1-phenyl-N-propylbutan-1-amine
CID 64652134
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenyl-N-propylpropan-1-amine
CID 64569116
N-[1-cyclopentyl-2-(2-methyloxolan-3-yl)sulfinylethyl]propan-1-amine
CID 107758464
1-(4-methylphenyl)-2-methylsulfinyl-N-propylpropan-1-amine
CID 64655218
2,4-dimethyl-1-phenyl-N-propylheptan-1-amine
CID 104845594
2-(2-cyclopropylethoxy)-1-phenyl-N-propylpropan-1-amine
CID 106200663
2-[phenyl(propylamino)methyl]butan-1-ol
CID 64814687
N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 115799745
3-methyl-2-methylsulfonyl-1-phenyl-N-propylbutan-1-amine
CID 55112331
2-(3-methylbutan-2-ylsulfonyl)-1-phenyl-N-propylpropan-1-amine
CID 107759149

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxolan-3-yl)sulfinyl-1-phenyl-N-propylpropan-1-amine?
The IUPAC name of 2-(2-methyloxolan-3-yl)sulfinyl-1-phenyl-N-propylpropan-1-amine (CID 107758340) is 2-(2-methyloxolan-3-yl)sulfinyl-1-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 2-(2-methyloxolan-3-yl)sulfinyl-1-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 2-(2-methyloxolan-3-yl)sulfinyl-1-phenyl-N-propylpropan-1-amine is CCCNC(c1ccccc1)C(C)S(=O)C1CCOC1C.
What is the InChIKey of 2-(2-methyloxolan-3-yl)sulfinyl-1-phenyl-N-propylpropan-1-amine?
The InChIKey is FBVSBKDXELQLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-4-11-18-17(15-8-6-5-7-9-15)14(3)21(19)16-10-12-20-13(16)2/h5-9,13-14,16-18H,4,10-12H2,1-3H3.
What are the key properties of 2-(2-methyloxolan-3-yl)sulfinyl-1-phenyl-N-propylpropan-1-amine?
2-(2-methyloxolan-3-yl)sulfinyl-1-phenyl-N-propylpropan-1-amine has a molecular weight of 309.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxolan-3-yl)sulfinyl-1-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 107758340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).