[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-hydroxyadamantane-1-carboxylate

C19H25NO4S — CID 18091698

IUPAC[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-hydroxyadamantane-1-carboxylate
SMILESCC(OC(=O)C12CC3CC(CC(O)(C3)C1)C2)C(=O)NCc1cccs1
InChIInChI=1S/C19H25NO4S/c1-12(16(21)20-10-15-3-2-4-25-15)24-17(22)18-6-13-5-14(7-18)9-19(23,8-13)11-18/h2-4,12-14,23H,5-11H2,1H3,(H,20,21)
InChIKeyZOWOQVGUPXCHKV-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.63
Rot. Bonds5

About [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-hydroxyadamantane-1-carboxylate

[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-hydroxyadamantane-1-carboxylate (PubChem CID 18091698) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-hydroxyadamantane-1-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-hydroxyadamantane-1-carboxylate
PubChem CID18091698
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC Name[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-hydroxyadamantane-1-carboxylate
SMILESCC(OC(=O)C12CC3CC(CC(O)(C3)C1)C2)C(=O)NCc1cccs1
InChIInChI=1S/C19H25NO4S/c1-12(16(21)20-10-15-3-2-4-25-15)24-17(22)18-6-13-5-14(7-18)9-19(23,8-13)11-18/h2-4,12-14,23H,5-11H2,1H3,(H,20,21)
InChIKeyZOWOQVGUPXCHKV-UHFFFAOYSA-N
XLogP2.63
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-hydroxyadamantane-1-carboxylate 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

[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] (5S,7R)-3-hydroxyadamantane-1-carboxylate
CID 8947500
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] adamantane-1-carboxylate
CID 7514446
2-(1-adamantyl)-N-(thiophen-2-ylmethyl)propanamide
CID 91580682
N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 2805256
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (5S,7S)-3-hydroxyadamantane-1-carboxylate
CID 98363349
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (5S,7R)-3-hydroxyadamantane-1-carboxylate
CID 8947332
1-ethoxyethyl 3-hydroxyadamantane-1-carboxylate
CID 22895668
[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] (5S,7R)-3-hydroxyadamantane-1-carboxylate
CID 7470451
[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8506174
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] furan-2-carboxylate
CID 651235
[(2S)-1-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] (5S,7R)-3-hydroxyadamantane-1-carboxylate
CID 26057932
3-phenyl-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 52990919

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-hydroxyadamantane-1-carboxylate?
The IUPAC name of [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-hydroxyadamantane-1-carboxylate (CID 18091698) is [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-hydroxyadamantane-1-carboxylate.
What is the SMILES notation for [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-hydroxyadamantane-1-carboxylate?
The canonical SMILES for [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-hydroxyadamantane-1-carboxylate is CC(OC(=O)C12CC3CC(CC(O)(C3)C1)C2)C(=O)NCc1cccs1.
What is the InChIKey of [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-hydroxyadamantane-1-carboxylate?
The InChIKey is ZOWOQVGUPXCHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-12(16(21)20-10-15-3-2-4-25-15)24-17(22)18-6-13-5-14(7-18)9-19(23,8-13)11-18/h2-4,12-14,23H,5-11H2,1H3,(H,20,21).
What are the key properties of [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-hydroxyadamantane-1-carboxylate?
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-hydroxyadamantane-1-carboxylate has a molecular weight of 363.48 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-hydroxyadamantane-1-carboxylate is sourced from PubChem (CID 18091698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).