methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol

C7H16ClNO3S — CID 91224158

IUPACmethanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol
SMILESCN1CCC[C@H]1CO.CS(=O)(=O)Cl
InChIInChI=1S/C6H13NO.CH3ClO2S/c1-7-4-2-3-6(7)5-8;1-5(2,3)4/h6,8H,2-5H2,1H3;1H3/t6-;/m0./s1
InChIKeyLZTMUWYXDPIBRB-RGMNGODLSA-N
MW229.73 g/mol
LogP0.26
Rot. Bonds1

About methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol

methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol (PubChem CID 91224158) has the molecular formula C7H16ClNO3S and a molecular weight of 229.73 g/mol. Its IUPAC name is methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Namemethanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol
PubChem CID91224158
Molecular FormulaC7H16ClNO3S
Molecular Weight229.73 g/mol
Exact Mass229.05
IUPAC Namemethanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol
SMILESCN1CCC[C@H]1CO.CS(=O)(=O)Cl
InChIInChI=1S/C6H13NO.CH3ClO2S/c1-7-4-2-3-6(7)5-8;1-5(2,3)4/h6,8H,2-5H2,1H3;1H3/t6-;/m0./s1
InChIKeyLZTMUWYXDPIBRB-RGMNGODLSA-N
XLogP0.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(1-methylpyrrolidin-2-yl)methanesulfonyl chloride
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[(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate
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[(2S)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
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methyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid
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1-(1-methylpyrrolidin-2-yl)ethenesulfonyl chloride
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(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
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Frequently Asked Questions

What is the IUPAC name of methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol?
The IUPAC name of methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol (CID 91224158) is methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol is CN1CCC[C@H]1CO.CS(=O)(=O)Cl.
What is the InChIKey of methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol?
The InChIKey is LZTMUWYXDPIBRB-RGMNGODLSA-N. The full InChI is InChI=1S/C6H13NO.CH3ClO2S/c1-7-4-2-3-6(7)5-8;1-5(2,3)4/h6,8H,2-5H2,1H3;1H3/t6-;/m0./s1.
What are the key properties of methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol?
methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol has a molecular weight of 229.73 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 91224158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).