[(3R)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]methoxy-methyl-oxo-sulfanylidene-λ6-sulfane

C10H21NO3S2 — CID 98005752

IUPAC[(3R)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]methoxy-methyl-oxo-sulfanylidene-λ6-sulfane
SMILESCC1(C)C[C@@H](COS(C)(=O)=S)C(C)(C)N1O
InChIInChI=1S/C10H21NO3S2/c1-9(2)6-8(7-14-16(5,13)15)10(3,4)11(9)12/h8,12H,6-7H2,1-5H3/t8-,16?/m0/s1
InChIKeyFEEBHMJXHAORCL-UOCSPZAXSA-N
MW267.42 g/mol
LogP1.56
Rot. Bonds3

About [(3R)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]methoxy-methyl-oxo-sulfanylidene-λ6-sulfane

[(3R)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]methoxy-methyl-oxo-sulfanylidene-λ6-sulfane (PubChem CID 98005752) has the molecular formula C10H21NO3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is [(3R)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]methoxy-methyl-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Name[(3R)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]methoxy-methyl-oxo-sulfanylidene-λ6-sulfane
PubChem CID98005752
Molecular FormulaC10H21NO3S2
Molecular Weight267.42 g/mol
Exact Mass267.10
IUPAC Name[(3R)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]methoxy-methyl-oxo-sulfanylidene-λ6-sulfane
SMILESCC1(C)C[C@@H](COS(C)(=O)=S)C(C)(C)N1O
InChIInChI=1S/C10H21NO3S2/c1-9(2)6-8(7-14-16(5,13)15)10(3,4)11(9)12/h8,12H,6-7H2,1-5H3/t8-,16?/m0/s1
InChIKeyFEEBHMJXHAORCL-UOCSPZAXSA-N
XLogP1.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 4-methylbenzenesulfonate
CID 89268299
tetrakis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] ethene-1,1,2,2-tetracarboxylate
CID 138724239
(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate
CID 138724844
(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl) hydrogen sulfate
CID 159900061
2-O-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 1-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate
CID 146527901
1-O-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-[2-hydroxy-2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]pentanedioate
CID 146527756
(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid
CID 854503
methane;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[2-[bis[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;dihydrate
CID 158036203
1-hydroxy-3-(isoselenocyanatomethyl)-2,2,5,5-tetramethylpyrrolidine
CID 134860361
bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[2-hydroxy-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]-4-methoxyheptanedioate
CID 138724250
1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-ol
CID 551669
[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)amino]-2-oxoethoxy]methyl 4-methylbenzenesulfonate
CID 88970003

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]methoxy-methyl-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of [(3R)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]methoxy-methyl-oxo-sulfanylidene-λ6-sulfane (CID 98005752) is [(3R)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]methoxy-methyl-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for [(3R)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]methoxy-methyl-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for [(3R)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]methoxy-methyl-oxo-sulfanylidene-λ6-sulfane is CC1(C)C[C@@H](COS(C)(=O)=S)C(C)(C)N1O.
What is the InChIKey of [(3R)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]methoxy-methyl-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is FEEBHMJXHAORCL-UOCSPZAXSA-N. The full InChI is InChI=1S/C10H21NO3S2/c1-9(2)6-8(7-14-16(5,13)15)10(3,4)11(9)12/h8,12H,6-7H2,1-5H3/t8-,16?/m0/s1.
What are the key properties of [(3R)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]methoxy-methyl-oxo-sulfanylidene-λ6-sulfane?
[(3R)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]methoxy-methyl-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 267.42 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]methoxy-methyl-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 98005752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).