1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenoxy)propan-2-ol

C17H21NO2S — CID 10380266

IUPAC1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenoxy)propan-2-ol
SMILESOC(COc1ccc(-c2ccsc2)cc1)CN1CCCC1
InChIInChI=1S/C17H21NO2S/c19-16(11-18-8-1-2-9-18)12-20-17-5-3-14(4-6-17)15-7-10-21-13-15/h3-7,10,13,16,19H,1-2,8-9,11-12H2
InChIKeyDBUMMQHMOBBLQF-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.25
Rot. Bonds6

About 1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenoxy)propan-2-ol

1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenoxy)propan-2-ol (PubChem CID 10380266) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenoxy)propan-2-ol
PubChem CID10380266
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenoxy)propan-2-ol
SMILESOC(COc1ccc(-c2ccsc2)cc1)CN1CCCC1
InChIInChI=1S/C17H21NO2S/c19-16(11-18-8-1-2-9-18)12-20-17-5-3-14(4-6-17)15-7-10-21-13-15/h3-7,10,13,16,19H,1-2,8-9,11-12H2
InChIKeyDBUMMQHMOBBLQF-UHFFFAOYSA-N
XLogP3.25
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
1-(4-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53352692
1-(4-aminophenoxy)-3-(azocan-1-yl)propan-2-ol
CID 43364549
1-[4-(aminomethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 43253320
1-[4-(azepan-1-ylmethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 172660340
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025
(2R)-1-(azepan-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol
CID 2306304
1-(4-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 21237689
1-pyrrolidin-1-yl-3-[4-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
CID 21396081
(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 8741482
(2S)-1-(4-nitrophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 1122027
1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 3578916

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenoxy)propan-2-ol?
The IUPAC name of 1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenoxy)propan-2-ol (CID 10380266) is 1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenoxy)propan-2-ol is OC(COc1ccc(-c2ccsc2)cc1)CN1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenoxy)propan-2-ol?
The InChIKey is DBUMMQHMOBBLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c19-16(11-18-8-1-2-9-18)12-20-17-5-3-14(4-6-17)15-7-10-21-13-15/h3-7,10,13,16,19H,1-2,8-9,11-12H2.
What are the key properties of 1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenoxy)propan-2-ol?
1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenoxy)propan-2-ol has a molecular weight of 303.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenoxy)propan-2-ol is sourced from PubChem (CID 10380266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).