1-methyl-N-(3-methylsulfonylpropyl)piperidin-4-amine

C10H22N2O2S — CID 61019263

IUPAC1-methyl-N-(3-methylsulfonylpropyl)piperidin-4-amine
SMILESCN1CCC(NCCCS(C)(=O)=O)CC1
InChIInChI=1S/C10H22N2O2S/c1-12-7-4-10(5-8-12)11-6-3-9-15(2,13)14/h10-11H,3-9H2,1-2H3
InChIKeyWQXPSMIFEMTPJR-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.10
Rot. Bonds5

About 1-methyl-N-(3-methylsulfonylpropyl)piperidin-4-amine

1-methyl-N-(3-methylsulfonylpropyl)piperidin-4-amine (PubChem CID 61019263) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-methyl-N-(3-methylsulfonylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(3-methylsulfonylpropyl)piperidin-4-amine
PubChem CID61019263
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name1-methyl-N-(3-methylsulfonylpropyl)piperidin-4-amine
SMILESCN1CCC(NCCCS(C)(=O)=O)CC1
InChIInChI=1S/C10H22N2O2S/c1-12-7-4-10(5-8-12)11-6-3-9-15(2,13)14/h10-11H,3-9H2,1-2H3
InChIKeyWQXPSMIFEMTPJR-UHFFFAOYSA-N
XLogP0.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-methyl-N-(3-methylsulfonylpropyl)piperidin-4-amine 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-methyl-N-(3-methylsulfonylpropyl)piperidin-4-amine?
The IUPAC name of 1-methyl-N-(3-methylsulfonylpropyl)piperidin-4-amine (CID 61019263) is 1-methyl-N-(3-methylsulfonylpropyl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-(3-methylsulfonylpropyl)piperidin-4-amine?
The canonical SMILES for 1-methyl-N-(3-methylsulfonylpropyl)piperidin-4-amine is CN1CCC(NCCCS(C)(=O)=O)CC1.
What is the InChIKey of 1-methyl-N-(3-methylsulfonylpropyl)piperidin-4-amine?
The InChIKey is WQXPSMIFEMTPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-12-7-4-10(5-8-12)11-6-3-9-15(2,13)14/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-methyl-N-(3-methylsulfonylpropyl)piperidin-4-amine?
1-methyl-N-(3-methylsulfonylpropyl)piperidin-4-amine has a molecular weight of 234.36 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylsulfonylpropyl)piperidin-4-amine is sourced from PubChem (CID 61019263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).