[1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane

C8H19NO2S — CID 159917406

IUPAC[1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane
SMILESCOCCN1CCCC1CO.S
InChIInChI=1S/C8H17NO2.H2S/c1-11-6-5-9-4-2-3-8(9)7-10;/h8,10H,2-7H2,1H3;1H2
InChIKeyNXYPGADOFTWTTD-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.20
Rot. Bonds4

About [1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane

[1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane (PubChem CID 159917406) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is [1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane.

Molecular Properties

Compound Name[1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane
PubChem CID159917406
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name[1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane
SMILESCOCCN1CCCC1CO.S
InChIInChI=1S/C8H17NO2.H2S/c1-11-6-5-9-4-2-3-8(9)7-10;/h8,10H,2-7H2,1H3;1H2
InChIKeyNXYPGADOFTWTTD-UHFFFAOYSA-N
XLogP0.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane?
The IUPAC name of [1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane (CID 159917406) is [1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane.
What is the SMILES notation for [1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane?
The canonical SMILES for [1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane is COCCN1CCCC1CO.S.
What is the InChIKey of [1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane?
The InChIKey is NXYPGADOFTWTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.H2S/c1-11-6-5-9-4-2-3-8(9)7-10;/h8,10H,2-7H2,1H3;1H2.
What are the key properties of [1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane?
[1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane has a molecular weight of 193.31 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane is sourced from PubChem (CID 159917406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).