[2-(methylaminomethyl)cyclopropyl]methanethiol

C6H13NS — CID 137465471

IUPAC[2-(methylaminomethyl)cyclopropyl]methanethiol
SMILESCNCC1CC1CS
InChIInChI=1S/C6H13NS/c1-7-3-5-2-6(5)4-8/h5-8H,2-4H2,1H3
InChIKeyVMEOMDJHYXUIHL-UHFFFAOYSA-N
MW131.24 g/mol
LogP0.77
Rot. Bonds3

About [2-(methylaminomethyl)cyclopropyl]methanethiol

[2-(methylaminomethyl)cyclopropyl]methanethiol (PubChem CID 137465471) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is [2-(methylaminomethyl)cyclopropyl]methanethiol.

Molecular Properties

Compound Name[2-(methylaminomethyl)cyclopropyl]methanethiol
PubChem CID137465471
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name[2-(methylaminomethyl)cyclopropyl]methanethiol
SMILESCNCC1CC1CS
InChIInChI=1S/C6H13NS/c1-7-3-5-2-6(5)4-8/h5-8H,2-4H2,1H3
InChIKeyVMEOMDJHYXUIHL-UHFFFAOYSA-N
XLogP0.77
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(methylaminomethyl)cyclopropyl]methanethiol?
The IUPAC name of [2-(methylaminomethyl)cyclopropyl]methanethiol (CID 137465471) is [2-(methylaminomethyl)cyclopropyl]methanethiol.
What is the SMILES notation for [2-(methylaminomethyl)cyclopropyl]methanethiol?
The canonical SMILES for [2-(methylaminomethyl)cyclopropyl]methanethiol is CNCC1CC1CS.
What is the InChIKey of [2-(methylaminomethyl)cyclopropyl]methanethiol?
The InChIKey is VMEOMDJHYXUIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-7-3-5-2-6(5)4-8/h5-8H,2-4H2,1H3.
What are the key properties of [2-(methylaminomethyl)cyclopropyl]methanethiol?
[2-(methylaminomethyl)cyclopropyl]methanethiol has a molecular weight of 131.24 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylaminomethyl)cyclopropyl]methanethiol is sourced from PubChem (CID 137465471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).