1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea

C15H25N3O2S — CID 111443181

IUPAC1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea
SMILESCCCN1CCC(CNC(=O)NCC(O)c2ccsc2)C1
InChIInChI=1S/C15H25N3O2S/c1-2-5-18-6-3-12(10-18)8-16-15(20)17-9-14(19)13-4-7-21-11-13/h4,7,11-12,14,19H,2-3,5-6,8-10H2,1H3,(H2,16,17,20)
InChIKeyLSDNFJQEPPXWCG-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.81
Rot. Bonds7

About 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea

1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea (PubChem CID 111443181) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea
PubChem CID111443181
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea
SMILESCCCN1CCC(CNC(=O)NCC(O)c2ccsc2)C1
InChIInChI=1S/C15H25N3O2S/c1-2-5-18-6-3-12(10-18)8-16-15(20)17-9-14(19)13-4-7-21-11-13/h4,7,11-12,14,19H,2-3,5-6,8-10H2,1H3,(H2,16,17,20)
InChIKeyLSDNFJQEPPXWCG-UHFFFAOYSA-N
XLogP1.81
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea
CID 111453237
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 111444022
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[4-(4-methylpiperidin-1-yl)butyl]urea
CID 111440919
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059
1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441023
2-(4-aminopiperidin-1-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103812158
1-(1-propylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride
CID 115592450
N-(cyclopropylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide
CID 106435169
1-(4-fluorophenyl)-3-[[(3R)-1-propylpyrrolidin-3-yl]methyl]urea
CID 94197353
1-[(3,4-dimethoxyphenyl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea
CID 60568343
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide
CID 90496631
1-(4-cyanophenyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea
CID 47070312

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea?
The IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea (CID 111443181) is 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea is CCCN1CCC(CNC(=O)NCC(O)c2ccsc2)C1.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea?
The InChIKey is LSDNFJQEPPXWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-2-5-18-6-3-12(10-18)8-16-15(20)17-9-14(19)13-4-7-21-11-13/h4,7,11-12,14,19H,2-3,5-6,8-10H2,1H3,(H2,16,17,20).
What are the key properties of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea?
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea has a molecular weight of 311.45 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea is sourced from PubChem (CID 111443181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).