[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanethiol

C10H19NOS — CID 103541621

IUPAC[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanethiol
SMILESCOC1CCN(CC2(CS)CC2)C1
InChIInChI=1S/C10H19NOS/c1-12-9-2-5-11(6-9)7-10(8-13)3-4-10/h9,13H,2-8H2,1H3
InChIKeyLXCNCLXYNSCRAF-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.42
Rot. Bonds4

About [1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanethiol

[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanethiol (PubChem CID 103541621) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is [1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanethiol.

Molecular Properties

Compound Name[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanethiol
PubChem CID103541621
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanethiol
SMILESCOC1CCN(CC2(CS)CC2)C1
InChIInChI=1S/C10H19NOS/c1-12-9-2-5-11(6-9)7-10(8-13)3-4-10/h9,13H,2-8H2,1H3
InChIKeyLXCNCLXYNSCRAF-UHFFFAOYSA-N
XLogP1.42
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-Methoxyethyl)pyrrolidin-3-yl]methanethiol
CID 20622922
Ethane;[1-(2-methoxyethyl)pyrrolidin-3-yl]methanethiol
CID 141927396
1-(1-Pyrrolidin-1-ylpropan-2-yloxy)ethanethiol
CID 170364162
1-[[1-(Sulfanylmethyl)cyclopropyl]methyl]pyrrolidin-3-ol
CID 80007409
[1-[[2-Ethoxyethyl(ethyl)amino]methyl]cyclopropyl]methanethiol
CID 80008563
[1-[[2-Methoxyethyl(methyl)amino]methyl]cyclopropyl]methanethiol
CID 80015760
[1-[[Bis(2-methoxyethyl)amino]methyl]cyclopropyl]methanethiol
CID 80016607
[1-[[Ethyl(2-methoxyethyl)amino]methyl]cyclopropyl]methanethiol
CID 80019281
[1-[[2-Methoxyethyl(3-methoxypropyl)amino]methyl]cyclopropyl]methanethiol
CID 80019655
[1-[[2-Methoxyethyl(2-methylpropyl)amino]methyl]cyclopropyl]methanethiol
CID 80019966
[1-[(2-Methyl-1,4-oxazepan-4-yl)methyl]cyclopropyl]methanethiol
CID 80020061
2-[2-(3,3-Dimethylpyrrolidin-1-yl)ethoxy]ethanethiol
CID 80197326

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanethiol?
The IUPAC name of [1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanethiol (CID 103541621) is [1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanethiol.
What is the SMILES notation for [1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanethiol?
The canonical SMILES for [1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanethiol is COC1CCN(CC2(CS)CC2)C1.
What is the InChIKey of [1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanethiol?
The InChIKey is LXCNCLXYNSCRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-12-9-2-5-11(6-9)7-10(8-13)3-4-10/h9,13H,2-8H2,1H3.
What are the key properties of [1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanethiol?
[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanethiol has a molecular weight of 201.33 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanethiol is sourced from PubChem (CID 103541621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).