1-ethylpyrrolidine;sulfanyloxymethane

C7H17NOS — CID 172620530

IUPAC1-ethylpyrrolidine;sulfanyloxymethane
SMILESCCN1CCCC1.COS
InChIInChI=1S/C6H13N.CH4OS/c1-2-7-5-3-4-6-7;1-2-3/h2-6H2,1H3;3H,1H3
InChIKeyJCVPQJSIZLPMAV-UHFFFAOYSA-N
MW163.29 g/mol
LogP1.58
Rot. Bonds1

About 1-ethylpyrrolidine;sulfanyloxymethane

1-ethylpyrrolidine;sulfanyloxymethane (PubChem CID 172620530) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is 1-ethylpyrrolidine;sulfanyloxymethane.

Molecular Properties

Compound Name1-ethylpyrrolidine;sulfanyloxymethane
PubChem CID172620530
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name1-ethylpyrrolidine;sulfanyloxymethane
SMILESCCN1CCCC1.COS
InChIInChI=1S/C6H13N.CH4OS/c1-2-7-5-3-4-6-7;1-2-3/h2-6H2,1H3;3H,1H3
InChIKeyJCVPQJSIZLPMAV-UHFFFAOYSA-N
XLogP1.58
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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1-ethylpyrrolidine;hydrofluoride
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1-ethylpiperidine;methane
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ethane;1-ethylpiperidine
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dichloromethane;1-ethylpiperidine
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1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
CID 173085999
CID 173085999
ethane;1-ethylpyrrolidine;2-methylpropan-2-amine
CID 168977329
bicyclo[2.2.0]hexa-1,3,5-triene;1-ethylpiperidine
CID 70007313
1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 142139915
1,4-diethylpiperazine;sulfane
CID 177062456

Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrrolidine;sulfanyloxymethane?
The IUPAC name of 1-ethylpyrrolidine;sulfanyloxymethane (CID 172620530) is 1-ethylpyrrolidine;sulfanyloxymethane.
What is the SMILES notation for 1-ethylpyrrolidine;sulfanyloxymethane?
The canonical SMILES for 1-ethylpyrrolidine;sulfanyloxymethane is CCN1CCCC1.COS.
What is the InChIKey of 1-ethylpyrrolidine;sulfanyloxymethane?
The InChIKey is JCVPQJSIZLPMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.CH4OS/c1-2-7-5-3-4-6-7;1-2-3/h2-6H2,1H3;3H,1H3.
What are the key properties of 1-ethylpyrrolidine;sulfanyloxymethane?
1-ethylpyrrolidine;sulfanyloxymethane has a molecular weight of 163.29 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrrolidine;sulfanyloxymethane is sourced from PubChem (CID 172620530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).