N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylethanesulfinamide

C7H16N2O2S — CID 130762734

IUPACN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylethanesulfinamide
SMILESCCS(=O)N(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C7H16N2O2S/c1-3-12(11)9(2)6-4-8-5-7(6)10/h6-8,10H,3-5H2,1-2H3/t6-,7-,12?/m1/s1
InChIKeyKWODJAZROBFVFT-FYCVLBMZSA-N
MW192.28 g/mol
LogP-1.07
Rot. Bonds3

About N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylethanesulfinamide

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylethanesulfinamide (PubChem CID 130762734) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylethanesulfinamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylethanesulfinamide
PubChem CID130762734
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylethanesulfinamide
SMILESCCS(=O)N(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C7H16N2O2S/c1-3-12(11)9(2)6-4-8-5-7(6)10/h6-8,10H,3-5H2,1-2H3/t6-,7-,12?/m1/s1
InChIKeyKWODJAZROBFVFT-FYCVLBMZSA-N
XLogP-1.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol
CID 58007276
(3S,4R)-4-(diethylamino)pyrrolidin-3-ol
CID 129371186
N-methyl-N-pyrrolidin-3-ylethanesulfinamide
CID 130993708
(3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride
CID 112756828
N-(4-hydroxypyrrolidin-3-yl)-N-methylbutanamide
CID 74884134
(3R,4R)-3-[ethylsulfamoyl(methyl)amino]-4-hydroxypyrrolidine
CID 104978123
ethyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylcarbamate
CID 43596830
(3S,4R,5S)-5-(dimethylamino)piperidine-3,4-diol
CID 156809597
4-[methyl(pentan-2-yl)amino]pyrrolidin-3-ol
CID 63702364
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propylpentanamide
CID 82987791
3-butyl-1-(4-hydroxypyrrolidin-3-yl)-1-methylurea
CID 74884545
(3R,4R)-4-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-3-ol
CID 130857921

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylethanesulfinamide?
The IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylethanesulfinamide (CID 130762734) is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylethanesulfinamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylethanesulfinamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylethanesulfinamide is CCS(=O)N(C)[C@@H]1CNC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylethanesulfinamide?
The InChIKey is KWODJAZROBFVFT-FYCVLBMZSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-3-12(11)9(2)6-4-8-5-7(6)10/h6-8,10H,3-5H2,1-2H3/t6-,7-,12?/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylethanesulfinamide?
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylethanesulfinamide has a molecular weight of 192.28 g/mol, XLogP of -1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylethanesulfinamide is sourced from PubChem (CID 130762734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).