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

lithium (2S)-1-[2-[[(5S,7R)-3-hydroxy-1-adamantyl]amino]acetyl]pyrrolidine-2-carboxylate
CID 71752940
2-(1-adamantylamino)-1-morpholin-4-ylethanone
CID 28567455
1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 118797563
1-(diaminomethylidene)guanidine;(2S)-1-[2-[[(5S,7R)-3-hydroxy-1-adamantyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 11495120
N-(3-hydroxy-1-adamantyl)acetamide
CID 2842792
N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide
CID 98051722
1-tert-butyl-3-[3-[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]amino]-1-adamantyl]urea;hydrochloride
CID 175969858
3-[(3-hydroxy-1-adamantyl)amino]butan-2-one
CID 118500804
2-[(3-hydroxy-1-adamantyl)amino]-N-(3-methylphenyl)acetamide
CID 154930175
CID 140659618
CID 140659618
(5S,7R)-3-(propan-2-ylamino)adamantan-1-ol
CID 159589364
4-fluoro-N-[(5R,7S)-3-[[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]amino]-1-adamantyl]benzamide;hydrochloride
CID 175969689

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).