1-(3-ethylsulfonylthiomorpholin-4-yl)-4,4-dimethylpentan-3-ol

C13H27NO3S2 — CID 66375790

IUPAC1-(3-ethylsulfonylthiomorpholin-4-yl)-4,4-dimethylpentan-3-ol
SMILESCCS(=O)(=O)C1CSCCN1CCC(O)C(C)(C)C
InChIInChI=1S/C13H27NO3S2/c1-5-19(16,17)12-10-18-9-8-14(12)7-6-11(15)13(2,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyMCPVLWFOGIJCIS-UHFFFAOYSA-N
MW309.50 g/mol
LogP1.59
Rot. Bonds5

About 1-(3-ethylsulfonylthiomorpholin-4-yl)-4,4-dimethylpentan-3-ol

1-(3-ethylsulfonylthiomorpholin-4-yl)-4,4-dimethylpentan-3-ol (PubChem CID 66375790) has the molecular formula C13H27NO3S2 and a molecular weight of 309.50 g/mol. Its IUPAC name is 1-(3-ethylsulfonylthiomorpholin-4-yl)-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-(3-ethylsulfonylthiomorpholin-4-yl)-4,4-dimethylpentan-3-ol
PubChem CID66375790
Molecular FormulaC13H27NO3S2
Molecular Weight309.50 g/mol
Exact Mass309.14
IUPAC Name1-(3-ethylsulfonylthiomorpholin-4-yl)-4,4-dimethylpentan-3-ol
SMILESCCS(=O)(=O)C1CSCCN1CCC(O)C(C)(C)C
InChIInChI=1S/C13H27NO3S2/c1-5-19(16,17)12-10-18-9-8-14(12)7-6-11(15)13(2,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyMCPVLWFOGIJCIS-UHFFFAOYSA-N
XLogP1.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine
CID 66375585
4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine
CID 66378487
(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3,3-dimethylbutan-2-amine
CID 112736889
4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3,3-trimethylbutan-2-amine
CID 66376796
3-(3-ethylsulfonylthiomorpholin-4-yl)propanamide
CID 66377719
N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 66375995
3-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-1-amine
CID 66377525
4-(4-chlorobutyl)-3-ethylsulfonylthiomorpholine
CID 66378289
1-(3-ethylsulfonylthiomorpholin-4-yl)-N,2-dimethylpropan-2-amine
CID 66377767
(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine
CID 112736892
N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]-2-methylpropan-1-amine
CID 66375791
4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine
CID 66377349

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylthiomorpholin-4-yl)-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-(3-ethylsulfonylthiomorpholin-4-yl)-4,4-dimethylpentan-3-ol (CID 66375790) is 1-(3-ethylsulfonylthiomorpholin-4-yl)-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-(3-ethylsulfonylthiomorpholin-4-yl)-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-(3-ethylsulfonylthiomorpholin-4-yl)-4,4-dimethylpentan-3-ol is CCS(=O)(=O)C1CSCCN1CCC(O)C(C)(C)C.
What is the InChIKey of 1-(3-ethylsulfonylthiomorpholin-4-yl)-4,4-dimethylpentan-3-ol?
The InChIKey is MCPVLWFOGIJCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S2/c1-5-19(16,17)12-10-18-9-8-14(12)7-6-11(15)13(2,3)4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 1-(3-ethylsulfonylthiomorpholin-4-yl)-4,4-dimethylpentan-3-ol?
1-(3-ethylsulfonylthiomorpholin-4-yl)-4,4-dimethylpentan-3-ol has a molecular weight of 309.50 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylthiomorpholin-4-yl)-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 66375790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).