2-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-thiomorpholin-4-ylethanone;hydrochloride

C11H23ClN2O2S — CID 66548664

IUPAC2-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-thiomorpholin-4-ylethanone;hydrochloride
SMILESCC(C)(CO)CNCC(=O)N1CCSCC1.Cl
InChIInChI=1S/C11H22N2O2S.ClH/c1-11(2,9-14)8-12-7-10(15)13-3-5-16-6-4-13;/h12,14H,3-9H2,1-2H3;1H
InChIKeyGQFNHQOSHHRPTJ-UHFFFAOYSA-N
MW282.84 g/mol
LogP0.59
Rot. Bonds5

About 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-thiomorpholin-4-ylethanone;hydrochloride

2-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-thiomorpholin-4-ylethanone;hydrochloride (PubChem CID 66548664) has the molecular formula C11H23ClN2O2S and a molecular weight of 282.84 g/mol. Its IUPAC name is 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-thiomorpholin-4-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-thiomorpholin-4-ylethanone;hydrochloride
PubChem CID66548664
Molecular FormulaC11H23ClN2O2S
Molecular Weight282.84 g/mol
Exact Mass282.12
IUPAC Name2-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-thiomorpholin-4-ylethanone;hydrochloride
SMILESCC(C)(CO)CNCC(=O)N1CCSCC1.Cl
InChIInChI=1S/C11H22N2O2S.ClH/c1-11(2,9-14)8-12-7-10(15)13-3-5-16-6-4-13;/h12,14H,3-9H2,1-2H3;1H
InChIKeyGQFNHQOSHHRPTJ-UHFFFAOYSA-N
XLogP0.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.84
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-5-oxo-5-thiomorpholin-4-ylpentanoic acid
CID 62934719
2-(2-methoxyethylamino)-1-(1,4-thiazepan-4-yl)ethanone
CID 79282673
3-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 113411282
N-(4-hydroxy-2,2-dimethylpentyl)thiomorpholine-4-carboxamide
CID 111507324
3-amino-1-thiomorpholin-4-ylbutan-1-one
CID 60835990
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28595912
1-(azepan-1-yl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethanone
CID 106256502
1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28596000
2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-piperidin-1-ylethanone
CID 106176895
2-iodo-1-thiomorpholin-4-ylethanone
CID 163792148
4-hydroxy-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one
CID 178086217
3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2,2-dimethylpropanamide
CID 114167213

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-thiomorpholin-4-ylethanone;hydrochloride?
The IUPAC name of 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-thiomorpholin-4-ylethanone;hydrochloride (CID 66548664) is 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-thiomorpholin-4-ylethanone;hydrochloride.
What is the SMILES notation for 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-thiomorpholin-4-ylethanone;hydrochloride?
The canonical SMILES for 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-thiomorpholin-4-ylethanone;hydrochloride is CC(C)(CO)CNCC(=O)N1CCSCC1.Cl.
What is the InChIKey of 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-thiomorpholin-4-ylethanone;hydrochloride?
The InChIKey is GQFNHQOSHHRPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S.ClH/c1-11(2,9-14)8-12-7-10(15)13-3-5-16-6-4-13;/h12,14H,3-9H2,1-2H3;1H.
What are the key properties of 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-thiomorpholin-4-ylethanone;hydrochloride?
2-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-thiomorpholin-4-ylethanone;hydrochloride has a molecular weight of 282.84 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-thiomorpholin-4-ylethanone;hydrochloride is sourced from PubChem (CID 66548664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).