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

C7H16ClNO3S — CID 134324985

IUPAC2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol;hydrochloride
SMILESCS(=O)(=O)CC(O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C7H15NO3S.ClH/c1-12(10,11)5-7(9)6-3-2-4-8-6;/h6-9H,2-5H2,1H3;1H/t6-,7?;/m0./s1
InChIKeyCRLHRKAJCAWWIP-OXIGJRIQSA-N
MW229.73 g/mol
LogP-0.43
Rot. Bonds3

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

2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol;hydrochloride (PubChem CID 134324985) has the molecular formula C7H16ClNO3S and a molecular weight of 229.73 g/mol. Its IUPAC name is 2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol;hydrochloride
PubChem CID134324985
Molecular FormulaC7H16ClNO3S
Molecular Weight229.73 g/mol
Exact Mass229.05
IUPAC Name2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol;hydrochloride
SMILESCS(=O)(=O)CC(O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C7H15NO3S.ClH/c1-12(10,11)5-7(9)6-3-2-4-8-6;/h6-9H,2-5H2,1H3;1H/t6-,7?;/m0./s1
InChIKeyCRLHRKAJCAWWIP-OXIGJRIQSA-N
XLogP-0.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol;hydrochloride?
The IUPAC name of 2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol;hydrochloride (CID 134324985) is 2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol;hydrochloride?
The canonical SMILES for 2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol;hydrochloride is CS(=O)(=O)CC(O)[C@@H]1CCCN1.Cl.
What is the InChIKey of 2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol;hydrochloride?
The InChIKey is CRLHRKAJCAWWIP-OXIGJRIQSA-N. The full InChI is InChI=1S/C7H15NO3S.ClH/c1-12(10,11)5-7(9)6-3-2-4-8-6;/h6-9H,2-5H2,1H3;1H/t6-,7?;/m0./s1.
What are the key properties of 2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol;hydrochloride?
2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol;hydrochloride has a molecular weight of 229.73 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol;hydrochloride is sourced from PubChem (CID 134324985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).