1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol

C17H30N2O3S — CID 24714051

IUPAC1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(CCN1CCOCC1)Cc1cccs1
InChIInChI=1S/C17H30N2O3S/c1-15(2)22-14-16(20)12-19(13-17-4-3-11-23-17)6-5-18-7-9-21-10-8-18/h3-4,11,15-16,20H,5-10,12-14H2,1-2H3
InChIKeySQSPXLMYJXOMEM-UHFFFAOYSA-N
MW342.50 g/mol
LogP1.67
Rot. Bonds10

About 1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol

1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 24714051) has the molecular formula C17H30N2O3S and a molecular weight of 342.50 g/mol. Its IUPAC name is 1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID24714051
Molecular FormulaC17H30N2O3S
Molecular Weight342.50 g/mol
Exact Mass342.20
IUPAC Name1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(CCN1CCOCC1)Cc1cccs1
InChIInChI=1S/C17H30N2O3S/c1-15(2)22-14-16(20)12-19(13-17-4-3-11-23-17)6-5-18-7-9-21-10-8-18/h3-4,11,15-16,20H,5-10,12-14H2,1-2H3
InChIKeySQSPXLMYJXOMEM-UHFFFAOYSA-N
XLogP1.67
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.50
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol with MolForge

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Related Compounds

4-(Thiophen-2-ylmethyl)morpholine
CID 240843
N-methyl-2-morpholin-4-yl-N-(2-propan-2-yloxyethyl)-2-thiophen-2-ylethanamine
CID 71932902
8-Propan-2-yl-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 118746262
2-[4-[(3-Methylthiophen-2-yl)methyl]piperazin-1-yl]ethanol
CID 779464
1-[(2-Methylpropan-2-yl)oxy]-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 3918563
1-[Butan-2-yl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 42682356
(2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161323
(2S)-1-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
CID 93163327
2-[ethyl(thiophen-2-ylmethyl)amino]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 93607490
2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 95351954
rac-(3S,4S)-4-isopropoxy-1-[(5-methyl-2-thienyl)methyl]pyrrolidin-3-ol
CID 129610925
2-(2-{4-[(4-Bromo-2-thienyl)methyl]-1-piperazinyl}ethoxy)ethanol
CID 29957816

Frequently Asked Questions

What is the IUPAC name of 1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol (CID 24714051) is 1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CN(CCN1CCOCC1)Cc1cccs1.
What is the InChIKey of 1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is SQSPXLMYJXOMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3S/c1-15(2)22-14-16(20)12-19(13-17-4-3-11-23-17)6-5-18-7-9-21-10-8-18/h3-4,11,15-16,20H,5-10,12-14H2,1-2H3.
What are the key properties of 1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 342.50 g/mol, XLogP of 1.67, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 24714051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).