2-(2-methyloxolan-3-yl)sulfinyl-1-phenylpropan-1-amine

C14H21NO2S — CID 107758244

IUPAC2-(2-methyloxolan-3-yl)sulfinyl-1-phenylpropan-1-amine
SMILESCC1OCCC1S(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C14H21NO2S/c1-10-13(8-9-17-10)18(16)11(2)14(15)12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9,15H2,1-2H3
InChIKeyMUAYTPGHDSPYMH-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.00
Rot. Bonds4

About 2-(2-methyloxolan-3-yl)sulfinyl-1-phenylpropan-1-amine

2-(2-methyloxolan-3-yl)sulfinyl-1-phenylpropan-1-amine (PubChem CID 107758244) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-(2-methyloxolan-3-yl)sulfinyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-(2-methyloxolan-3-yl)sulfinyl-1-phenylpropan-1-amine
PubChem CID107758244
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-(2-methyloxolan-3-yl)sulfinyl-1-phenylpropan-1-amine
SMILESCC1OCCC1S(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C14H21NO2S/c1-10-13(8-9-17-10)18(16)11(2)14(15)12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9,15H2,1-2H3
InChIKeyMUAYTPGHDSPYMH-UHFFFAOYSA-N
XLogP2.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyloxolan-3-yl)sulfinyl-1-phenyl-N-propylpropan-1-amine
CID 107758340
2-cyclohexylsulfinyl-1-phenylpropan-1-amine
CID 64654149
4-(2-methyloxolan-3-yl)sulfinylbutan-2-amine
CID 107758428
benzyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate
CID 107753081
2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propan-2-ylphenyl)ethanone
CID 107764229
2-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 16781161
N-(2-amino-2-phenylethyl)-2-methyloxolane-3-carboxamide
CID 79760131
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103495028
N'-methyl-N'-(2-methyloxolan-3-yl)-2-phenylpropane-1,3-diamine
CID 82733792
2-(2-ethylmorpholin-4-yl)-1-phenylpropan-1-amine
CID 43562634
2-[(2-methyloxolan-3-yl)amino]-1-phenylethanol
CID 115335546
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-amine
CID 113335651

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxolan-3-yl)sulfinyl-1-phenylpropan-1-amine?
The IUPAC name of 2-(2-methyloxolan-3-yl)sulfinyl-1-phenylpropan-1-amine (CID 107758244) is 2-(2-methyloxolan-3-yl)sulfinyl-1-phenylpropan-1-amine.
What is the SMILES notation for 2-(2-methyloxolan-3-yl)sulfinyl-1-phenylpropan-1-amine?
The canonical SMILES for 2-(2-methyloxolan-3-yl)sulfinyl-1-phenylpropan-1-amine is CC1OCCC1S(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 2-(2-methyloxolan-3-yl)sulfinyl-1-phenylpropan-1-amine?
The InChIKey is MUAYTPGHDSPYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10-13(8-9-17-10)18(16)11(2)14(15)12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9,15H2,1-2H3.
What are the key properties of 2-(2-methyloxolan-3-yl)sulfinyl-1-phenylpropan-1-amine?
2-(2-methyloxolan-3-yl)sulfinyl-1-phenylpropan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 2.00, 4 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-phenylpropan-1-amine is sourced from PubChem (CID 107758244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).