2-[(3-hydroxy-1-adamantyl)amino]-1-thiomorpholin-4-ylethanone

C16H26N2O2S — CID 66546917

IUPAC2-[(3-hydroxy-1-adamantyl)amino]-1-thiomorpholin-4-ylethanone
SMILESO=C(CNC12CC3CC(CC(O)(C3)C1)C2)N1CCSCC1
InChIInChI=1S/C16H26N2O2S/c19-14(18-1-3-21-4-2-18)10-17-15-6-12-5-13(7-15)9-16(20,8-12)11-15/h12-13,17,20H,1-11H2
InChIKeyOHFZUTSRWKDTKT-UHFFFAOYSA-N
MW310.46 g/mol
LogP1.24
Rot. Bonds3

About 2-[(3-hydroxy-1-adamantyl)amino]-1-thiomorpholin-4-ylethanone

2-[(3-hydroxy-1-adamantyl)amino]-1-thiomorpholin-4-ylethanone (PubChem CID 66546917) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-[(3-hydroxy-1-adamantyl)amino]-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(3-hydroxy-1-adamantyl)amino]-1-thiomorpholin-4-ylethanone
PubChem CID66546917
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2-[(3-hydroxy-1-adamantyl)amino]-1-thiomorpholin-4-ylethanone
SMILESO=C(CNC12CC3CC(CC(O)(C3)C1)C2)N1CCSCC1
InChIInChI=1S/C16H26N2O2S/c19-14(18-1-3-21-4-2-18)10-17-15-6-12-5-13(7-15)9-16(20,8-12)11-15/h12-13,17,20H,1-11H2
InChIKeyOHFZUTSRWKDTKT-UHFFFAOYSA-N
XLogP1.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(3-hydroxy-1-adamantyl)amino]ethanone
CID 44433969
2-[(3-Hydroxy-1-adamantyl)amino]-1-pyrrolidin-1-ylethanone
CID 66885569
2-[[(5S,7S)-3-hydroxy-1-adamantyl]amino]-1-pyrrolidin-1-ylethanone
CID 141216701
2-[[(5S,7R)-3-hydroxy-1-adamantyl]amino]-1-pyrrolidin-1-ylethanone
CID 148412279
2-[(3-Hydroxy-1-adamantyl)amino]-1-thiomorpholin-4-ylethanone;hydrochloride
CID 66546916
2-(4-ethylpiperazin-1-yl)-N-(3-hydroxy-1-adamantyl)acetamide
CID 131925611
N-[(3-hydroxy-1-adamantyl)methyl]-2-thiomorpholin-4-ylpropanamide
CID 166293231

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-1-adamantyl)amino]-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-[(3-hydroxy-1-adamantyl)amino]-1-thiomorpholin-4-ylethanone (CID 66546917) is 2-[(3-hydroxy-1-adamantyl)amino]-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-[(3-hydroxy-1-adamantyl)amino]-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-[(3-hydroxy-1-adamantyl)amino]-1-thiomorpholin-4-ylethanone is O=C(CNC12CC3CC(CC(O)(C3)C1)C2)N1CCSCC1.
What is the InChIKey of 2-[(3-hydroxy-1-adamantyl)amino]-1-thiomorpholin-4-ylethanone?
The InChIKey is OHFZUTSRWKDTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c19-14(18-1-3-21-4-2-18)10-17-15-6-12-5-13(7-15)9-16(20,8-12)11-15/h12-13,17,20H,1-11H2.
What are the key properties of 2-[(3-hydroxy-1-adamantyl)amino]-1-thiomorpholin-4-ylethanone?
2-[(3-hydroxy-1-adamantyl)amino]-1-thiomorpholin-4-ylethanone has a molecular weight of 310.46 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-1-adamantyl)amino]-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 66546917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).