2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide

C8H18N2O3S — CID 155698687

IUPAC2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide
SMILESCN(C)S(=O)(=O)CC(O)[C@@H]1CCCN1
InChIInChI=1S/C8H18N2O3S/c1-10(2)14(12,13)6-8(11)7-4-3-5-9-7/h7-9,11H,3-6H2,1-2H3/t7-,8?/m0/s1
InChIKeyMVYSHHWAAPHYLH-JAMMHHFISA-N
MW222.31 g/mol
LogP-1.01
Rot. Bonds4

About 2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide

2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide (PubChem CID 155698687) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide
PubChem CID155698687
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide
SMILESCN(C)S(=O)(=O)CC(O)[C@@H]1CCCN1
InChIInChI=1S/C8H18N2O3S/c1-10(2)14(12,13)6-8(11)7-4-3-5-9-7/h7-9,11H,3-6H2,1-2H3/t7-,8?/m0/s1
InChIKeyMVYSHHWAAPHYLH-JAMMHHFISA-N
XLogP-1.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]hexan-1-ol
CID 102174650
(1S)-1-[(2R)-1-(2-hydroxyethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 102174651
N-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 137875032
[(2S)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol
CID 59654487
[(2R)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol
CID 59654556
(1-Propan-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61409013
(4-Tert-butylsulfonylpyrrolidin-2-yl)methanol
CID 67293898
[(2S,4R)-4-tert-butylsulfonylpyrrolidin-2-yl]methanol
CID 67293994
6-Amino-3-(dimethylamino)-2-hydroxyhexane-1-sulfonic acid
CID 88440097
2-Methylsulfonyl-1-pyrrolidin-2-ylethanol
CID 115019531
(1S)-1-methoxy-N,N-dimethyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 123302269
2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol;hydrochloride
CID 134324985

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide?
The IUPAC name of 2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide (CID 155698687) is 2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide.
What is the SMILES notation for 2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide?
The canonical SMILES for 2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide is CN(C)S(=O)(=O)CC(O)[C@@H]1CCCN1.
What is the InChIKey of 2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide?
The InChIKey is MVYSHHWAAPHYLH-JAMMHHFISA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-10(2)14(12,13)6-8(11)7-4-3-5-9-7/h7-9,11H,3-6H2,1-2H3/t7-,8?/m0/s1.
What are the key properties of 2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide?
2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide has a molecular weight of 222.31 g/mol, XLogP of -1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide is sourced from PubChem (CID 155698687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).