(1S)-2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol

C7H15NO3S — CID 138485657

IUPAC(1S)-2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol
SMILESCS(=O)(=O)C[C@@H](O)[C@@H]1CCCN1
InChIInChI=1S/C7H15NO3S/c1-12(10,11)5-7(9)6-3-2-4-8-6/h6-9H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyOMJADKVVRHOCAC-NKWVEPMBSA-N
MW193.27 g/mol
LogP-0.86
Rot. Bonds3

About (1S)-2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol

(1S)-2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol (PubChem CID 138485657) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is (1S)-2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol
PubChem CID138485657
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name(1S)-2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol
SMILESCS(=O)(=O)C[C@@H](O)[C@@H]1CCCN1
InChIInChI=1S/C7H15NO3S/c1-12(10,11)5-7(9)6-3-2-4-8-6/h6-9H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyOMJADKVVRHOCAC-NKWVEPMBSA-N
XLogP-0.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylethyl]pyrrolidine
CID 174183276
1-pyrrolidin-2-ylpropan-1-ol;hydrochloride
CID 172641162
(4R)-4-hydroxy-4-[(2S)-pyrrolidin-2-yl]butan-2-one
CID 155141506
(1R)-2-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485490
1-cyclopentyl-2-methylsulfonylethanol
CID 115601024
(1S)-2-amino-1-pyrrolidin-2-ylethanol
CID 155010732
2-methoxy-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 164662041
(1S)-2-[dimethyl(phenyl)-λ4-sulfanyl]-1-[(2S)-piperidin-2-yl]ethanol
CID 155010585
benzyl (2S)-2-hydroxy-2-[(2S)-pyrrolidin-2-yl]ethanesulfonate
CID 155141546
(1S)-2-(1-methylsiliran-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 142507527
1-pyrrolidin-2-ylbut-3-en-1-ol
CID 72814698
(1R)-4-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]butan-1-ol
CID 138485429

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol?
The IUPAC name of (1S)-2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol (CID 138485657) is (1S)-2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1S)-2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol?
The canonical SMILES for (1S)-2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol is CS(=O)(=O)C[C@@H](O)[C@@H]1CCCN1.
What is the InChIKey of (1S)-2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol?
The InChIKey is OMJADKVVRHOCAC-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-12(10,11)5-7(9)6-3-2-4-8-6/h6-9H,2-5H2,1H3/t6-,7+/m0/s1.
What are the key properties of (1S)-2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol?
(1S)-2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol has a molecular weight of 193.27 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 138485657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).