1-methylpyrrolidin-3-amine;sulfanol

C5H14N2OS — CID 143564913

IUPAC1-methylpyrrolidin-3-amine;sulfanol
SMILESCN1CCC(N)C1.OS
InChIInChI=1S/C5H12N2.H2OS/c1-7-3-2-5(6)4-7;1-2/h5H,2-4,6H2,1H3;1-2H
InChIKeyUNTCUANRTQTTRZ-UHFFFAOYSA-N
MW150.25 g/mol
LogP0.04
Rot. Bonds

About 1-methylpyrrolidin-3-amine;sulfanol

1-methylpyrrolidin-3-amine;sulfanol (PubChem CID 143564913) has the molecular formula C5H14N2OS and a molecular weight of 150.25 g/mol. Its IUPAC name is 1-methylpyrrolidin-3-amine;sulfanol.

Molecular Properties

Compound Name1-methylpyrrolidin-3-amine;sulfanol
PubChem CID143564913
Molecular FormulaC5H14N2OS
Molecular Weight150.25 g/mol
Exact Mass150.08
IUPAC Name1-methylpyrrolidin-3-amine;sulfanol
SMILESCN1CCC(N)C1.OS
InChIInChI=1S/C5H12N2.H2OS/c1-7-3-2-5(6)4-7;1-2/h5H,2-4,6H2,1H3;1-2H
InChIKeyUNTCUANRTQTTRZ-UHFFFAOYSA-N
XLogP0.04
TPSA49.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.25
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-methylpyrrolidin-3-amine;sulfanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidin-3-amine;sulfanol?
The IUPAC name of 1-methylpyrrolidin-3-amine;sulfanol (CID 143564913) is 1-methylpyrrolidin-3-amine;sulfanol.
What is the SMILES notation for 1-methylpyrrolidin-3-amine;sulfanol?
The canonical SMILES for 1-methylpyrrolidin-3-amine;sulfanol is CN1CCC(N)C1.OS.
What is the InChIKey of 1-methylpyrrolidin-3-amine;sulfanol?
The InChIKey is UNTCUANRTQTTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.H2OS/c1-7-3-2-5(6)4-7;1-2/h5H,2-4,6H2,1H3;1-2H.
What are the key properties of 1-methylpyrrolidin-3-amine;sulfanol?
1-methylpyrrolidin-3-amine;sulfanol has a molecular weight of 150.25 g/mol, XLogP of 0.04, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidin-3-amine;sulfanol is sourced from PubChem (CID 143564913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).