3-methyl-4-(3-piperidin-1-ylsulfonylpropylamino)butan-1-ol

C13H28N2O3S — CID 173124364

IUPAC3-methyl-4-(3-piperidin-1-ylsulfonylpropylamino)butan-1-ol
SMILESCC(CCO)CNCCCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C13H28N2O3S/c1-13(6-10-16)12-14-7-5-11-19(17,18)15-8-3-2-4-9-15/h13-14,16H,2-12H2,1H3
InChIKeyDRCZRLNOOQEZEN-UHFFFAOYSA-N
MW292.44 g/mol
LogP0.80
Rot. Bonds9

About 3-methyl-4-(3-piperidin-1-ylsulfonylpropylamino)butan-1-ol

3-methyl-4-(3-piperidin-1-ylsulfonylpropylamino)butan-1-ol (PubChem CID 173124364) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is 3-methyl-4-(3-piperidin-1-ylsulfonylpropylamino)butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-(3-piperidin-1-ylsulfonylpropylamino)butan-1-ol
PubChem CID173124364
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name3-methyl-4-(3-piperidin-1-ylsulfonylpropylamino)butan-1-ol
SMILESCC(CCO)CNCCCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C13H28N2O3S/c1-13(6-10-16)12-14-7-5-11-19(17,18)15-8-3-2-4-9-15/h13-14,16H,2-12H2,1H3
InChIKeyDRCZRLNOOQEZEN-UHFFFAOYSA-N
XLogP0.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methyl-4-(3-piperidin-1-ylsulfonylpropylamino)butan-1-ol 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 3-methyl-4-(3-piperidin-1-ylsulfonylpropylamino)butan-1-ol?
The IUPAC name of 3-methyl-4-(3-piperidin-1-ylsulfonylpropylamino)butan-1-ol (CID 173124364) is 3-methyl-4-(3-piperidin-1-ylsulfonylpropylamino)butan-1-ol.
What is the SMILES notation for 3-methyl-4-(3-piperidin-1-ylsulfonylpropylamino)butan-1-ol?
The canonical SMILES for 3-methyl-4-(3-piperidin-1-ylsulfonylpropylamino)butan-1-ol is CC(CCO)CNCCCS(=O)(=O)N1CCCCC1.
What is the InChIKey of 3-methyl-4-(3-piperidin-1-ylsulfonylpropylamino)butan-1-ol?
The InChIKey is DRCZRLNOOQEZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-13(6-10-16)12-14-7-5-11-19(17,18)15-8-3-2-4-9-15/h13-14,16H,2-12H2,1H3.
What are the key properties of 3-methyl-4-(3-piperidin-1-ylsulfonylpropylamino)butan-1-ol?
3-methyl-4-(3-piperidin-1-ylsulfonylpropylamino)butan-1-ol has a molecular weight of 292.44 g/mol, XLogP of 0.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-piperidin-1-ylsulfonylpropylamino)butan-1-ol is sourced from PubChem (CID 173124364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).