methanesulfonic acid;2-pyrrolidin-1-ylethanol

C7H17NO4S — CID 88681648

IUPACmethanesulfonic acid;2-pyrrolidin-1-ylethanol
SMILESCS(=O)(=O)O.OCCN1CCCC1
InChIInChI=1S/C6H13NO.CH4O3S/c8-6-5-7-3-1-2-4-7;1-5(2,3)4/h8H,1-6H2;1H3,(H,2,3,4)
InChIKeyMQOGMTMVLBTTDC-UHFFFAOYSA-N
MW211.28 g/mol
LogP-0.42
Rot. Bonds2

About methanesulfonic acid;2-pyrrolidin-1-ylethanol

methanesulfonic acid;2-pyrrolidin-1-ylethanol (PubChem CID 88681648) has the molecular formula C7H17NO4S and a molecular weight of 211.28 g/mol. Its IUPAC name is methanesulfonic acid;2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Namemethanesulfonic acid;2-pyrrolidin-1-ylethanol
PubChem CID88681648
Molecular FormulaC7H17NO4S
Molecular Weight211.28 g/mol
Exact Mass211.09
IUPAC Namemethanesulfonic acid;2-pyrrolidin-1-ylethanol
SMILESCS(=O)(=O)O.OCCN1CCCC1
InChIInChI=1S/C6H13NO.CH4O3S/c8-6-5-7-3-1-2-4-7;1-5(2,3)4/h8H,1-6H2;1H3,(H,2,3,4)
InChIKeyMQOGMTMVLBTTDC-UHFFFAOYSA-N
XLogP-0.42
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-Hydroxyethyl)-N,N-Dimethyl-3-Sulfopropan-1-Aminium
CID 3016020
(2-Hydroxyethyl)dimethyl(3-sulphopropyl)ammonium hydroxide
CID 3016019
2-Pyrrolidin-1-ylethyl methanesulfonate
CID 13174334
Butyl-bis(2-hydroxyethyl)-(3-sulfopropyl)azanium
CID 23288507
[Bis(2-hydroxypropyl)amino]methanesulfonic acid
CID 53837842
Bis(2-hydroxyethyl)-dimethylazanium;methanesulfonic acid
CID 57483590
Ethyl-bis(2-hydroxyethyl)-(4-sulfobutyl)azanium
CID 58213451
Methanesulfonate;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium
CID 85827485
1-[Butyl(1-hydroxyethyl)amino]ethanol;methanesulfonic acid
CID 87203610
2-Hydroxyethyl-dimethyl-(4-sulfobutyl)azanium
CID 87535863
2-(1-Methylpyrrolidin-1-ium-1-yl)ethyl methanesulfonate
CID 89415078
2-(1-Butylpyrrolidin-1-ium-1-yl)ethyl methanesulfonate
CID 89420060

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;2-pyrrolidin-1-ylethanol?
The IUPAC name of methanesulfonic acid;2-pyrrolidin-1-ylethanol (CID 88681648) is methanesulfonic acid;2-pyrrolidin-1-ylethanol.
What is the SMILES notation for methanesulfonic acid;2-pyrrolidin-1-ylethanol?
The canonical SMILES for methanesulfonic acid;2-pyrrolidin-1-ylethanol is CS(=O)(=O)O.OCCN1CCCC1.
What is the InChIKey of methanesulfonic acid;2-pyrrolidin-1-ylethanol?
The InChIKey is MQOGMTMVLBTTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.CH4O3S/c8-6-5-7-3-1-2-4-7;1-5(2,3)4/h8H,1-6H2;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;2-pyrrolidin-1-ylethanol?
methanesulfonic acid;2-pyrrolidin-1-ylethanol has a molecular weight of 211.28 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 88681648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).