6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol

C11H23NOS — CID 103541634

IUPAC6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol
SMILESCOC1CCN(CCCCCCS)C1
InChIInChI=1S/C11H23NOS/c1-13-11-6-8-12(10-11)7-4-2-3-5-9-14/h11,14H,2-10H2,1H3
InChIKeyZRTAUMWZBBDOOD-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.20
Rot. Bonds7

About 6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol

6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol (PubChem CID 103541634) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol.

Molecular Properties

Compound Name6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol
PubChem CID103541634
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol
SMILESCOC1CCN(CCCCCCS)C1
InChIInChI=1S/C11H23NOS/c1-13-11-6-8-12(10-11)7-4-2-3-5-9-14/h11,14H,2-10H2,1H3
InChIKeyZRTAUMWZBBDOOD-UHFFFAOYSA-N
XLogP2.20
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 69155262
4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103535134
6-(3-methoxypyrrolidin-1-yl)hexan-2-amine
CID 103532346
methyl 4-(3-methoxypyrrolidin-1-yl)butanoate
CID 103535204
N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine
CID 103539769
5-(3-methoxypyrrolidin-1-yl)pentan-2-amine
CID 103532229
9-(3,4-dimethoxypyrrolidin-1-yl)nonane-1-thiol
CID 103541661
6-[3-(methoxymethyl)piperidin-1-yl]hexane-1-thiol
CID 106590054
5-(3-methoxypyrrolidin-1-yl)pentanehydrazide
CID 103540509
4-[3-(3-methoxypyrrolidin-1-yl)propyl]piperidine
CID 103534757
3-methoxy-1-(2-methoxyethyl)pyrrolidine;methyl hypofluorite
CID 170772093
5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol
CID 103504387

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol?
The IUPAC name of 6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol (CID 103541634) is 6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol.
What is the SMILES notation for 6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol?
The canonical SMILES for 6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol is COC1CCN(CCCCCCS)C1.
What is the InChIKey of 6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol?
The InChIKey is ZRTAUMWZBBDOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-13-11-6-8-12(10-11)7-4-2-3-5-9-14/h11,14H,2-10H2,1H3.
What are the key properties of 6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol?
6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol has a molecular weight of 217.38 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol is sourced from PubChem (CID 103541634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).