[1-(3-ethylsulfanylpropyl)-3-methylpyrrolidin-2-yl]methanol

C11H23NOS — CID 102788799

IUPAC[1-(3-ethylsulfanylpropyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCCSCCCN1CCC(C)C1CO
InChIInChI=1S/C11H23NOS/c1-3-14-8-4-6-12-7-5-10(2)11(12)9-13/h10-11,13H,3-9H2,1-2H3
InChIKeyYNUUKVRSVYTPBN-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.83
Rot. Bonds6

About [1-(3-ethylsulfanylpropyl)-3-methylpyrrolidin-2-yl]methanol

[1-(3-ethylsulfanylpropyl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102788799) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is [1-(3-ethylsulfanylpropyl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-ethylsulfanylpropyl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102788799
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name[1-(3-ethylsulfanylpropyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCCSCCCN1CCC(C)C1CO
InChIInChI=1S/C11H23NOS/c1-3-14-8-4-6-12-7-5-10(2)11(12)9-13/h10-11,13H,3-9H2,1-2H3
InChIKeyYNUUKVRSVYTPBN-UHFFFAOYSA-N
XLogP1.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-methyl-1-(2-sulfanylethyl)pyrrolidin-2-yl]methanol
CID 102789795
[1-(2-fluoroethyl)-3-methylpyrrolidin-2-yl]methanol
CID 102787851
[3-methyl-1-(2-propoxyethyl)pyrrolidin-2-yl]methanol
CID 106456281
[1-[2-(dimethylamino)ethyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788257
2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]ethanol
CID 102786734
2-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]oxyethanol
CID 115771131
tert-butyl (2S)-1-(3-ethylsulfanylpropyl)pyrrolidine-2-carboxylate
CID 103773649
[3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
CID 102787854
3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanimidamide
CID 102781514
2-ethyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]but-2-enoic acid
CID 102782032
[1-(2,2-diethoxyethyl)-3-methylpyrrolidin-2-yl]methanol
CID 102782497
1-[1-(3-ethylsulfanylpropyl)pyrrolidin-2-yl]propan-2-ol
CID 115758845

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethylsulfanylpropyl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-ethylsulfanylpropyl)-3-methylpyrrolidin-2-yl]methanol (CID 102788799) is [1-(3-ethylsulfanylpropyl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-ethylsulfanylpropyl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-ethylsulfanylpropyl)-3-methylpyrrolidin-2-yl]methanol is CCSCCCN1CCC(C)C1CO.
What is the InChIKey of [1-(3-ethylsulfanylpropyl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is YNUUKVRSVYTPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-3-14-8-4-6-12-7-5-10(2)11(12)9-13/h10-11,13H,3-9H2,1-2H3.
What are the key properties of [1-(3-ethylsulfanylpropyl)-3-methylpyrrolidin-2-yl]methanol?
[1-(3-ethylsulfanylpropyl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 217.38 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethylsulfanylpropyl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102788799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).