2-amino-3-(2-methyloxolan-3-yl)sulfanyl-2-phenylpropan-1-ol

C14H21NO2S — CID 107764604

IUPAC2-amino-3-(2-methyloxolan-3-yl)sulfanyl-2-phenylpropan-1-ol
SMILESCC1OCCC1SCC(N)(CO)c1ccccc1
InChIInChI=1S/C14H21NO2S/c1-11-13(7-8-17-11)18-10-14(15,9-16)12-5-3-2-4-6-12/h2-6,11,13,16H,7-10,15H2,1H3
InChIKeyRMCOAPIMYXZYJS-UHFFFAOYSA-N
MW267.39 g/mol
LogP1.74
Rot. Bonds5

About 2-amino-3-(2-methyloxolan-3-yl)sulfanyl-2-phenylpropan-1-ol

2-amino-3-(2-methyloxolan-3-yl)sulfanyl-2-phenylpropan-1-ol (PubChem CID 107764604) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-amino-3-(2-methyloxolan-3-yl)sulfanyl-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2-methyloxolan-3-yl)sulfanyl-2-phenylpropan-1-ol
PubChem CID107764604
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-amino-3-(2-methyloxolan-3-yl)sulfanyl-2-phenylpropan-1-ol
SMILESCC1OCCC1SCC(N)(CO)c1ccccc1
InChIInChI=1S/C14H21NO2S/c1-11-13(7-8-17-11)18-10-14(15,9-16)12-5-3-2-4-6-12/h2-6,11,13,16H,7-10,15H2,1H3
InChIKeyRMCOAPIMYXZYJS-UHFFFAOYSA-N
XLogP1.74
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(2-methyloxolan-3-yl)sulfanyl-2-phenylbutanenitrile
CID 107754807
3-(2-methyloxolan-3-yl)sulfanyl-2-phenyl-2-(propylamino)propanenitrile
CID 107754803
N-[3-(2-methyloxolan-3-yl)sulfanylpropyl]aniline
CID 107756872
2-(methylamino)-4-(2-methyloxolan-3-yl)sulfanyl-2-phenylbutanenitrile
CID 107754855
2-cyclopropyl-2-(methylamino)-3-(2-methyloxolan-3-yl)sulfanylpropan-1-ol
CID 107764630
2-(2-methyloxolan-3-yl)sulfanylethanol
CID 103847375
4-(2-methyloxolan-3-yl)sulfanylbutan-1-ol
CID 107751769
3-[(2-methyloxolan-3-yl)sulfanylmethyl]benzoic acid
CID 107746125
[2-(2-methyloxolan-3-yl)sulfanylphenyl]methanamine
CID 107751940
2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropan-1-ol
CID 64806319
2-[(2-methyloxolan-3-yl)sulfanylmethyl]-1-benzofuran-3-carboxylic acid
CID 107746132
5-[(2-methyloxolan-3-yl)sulfanylmethyl]thiophene-2-carboxylic acid
CID 107746093

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methyloxolan-3-yl)sulfanyl-2-phenylpropan-1-ol?
The IUPAC name of 2-amino-3-(2-methyloxolan-3-yl)sulfanyl-2-phenylpropan-1-ol (CID 107764604) is 2-amino-3-(2-methyloxolan-3-yl)sulfanyl-2-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-3-(2-methyloxolan-3-yl)sulfanyl-2-phenylpropan-1-ol?
The canonical SMILES for 2-amino-3-(2-methyloxolan-3-yl)sulfanyl-2-phenylpropan-1-ol is CC1OCCC1SCC(N)(CO)c1ccccc1.
What is the InChIKey of 2-amino-3-(2-methyloxolan-3-yl)sulfanyl-2-phenylpropan-1-ol?
The InChIKey is RMCOAPIMYXZYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11-13(7-8-17-11)18-10-14(15,9-16)12-5-3-2-4-6-12/h2-6,11,13,16H,7-10,15H2,1H3.
What are the key properties of 2-amino-3-(2-methyloxolan-3-yl)sulfanyl-2-phenylpropan-1-ol?
2-amino-3-(2-methyloxolan-3-yl)sulfanyl-2-phenylpropan-1-ol has a molecular weight of 267.39 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methyloxolan-3-yl)sulfanyl-2-phenylpropan-1-ol is sourced from PubChem (CID 107764604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).