ethane;N-piperidin-3-ylbutane-1-sulfinamide

C11H26N2OS — CID 145388637

IUPACethane;N-piperidin-3-ylbutane-1-sulfinamide
SMILESCC.CCCCS(=O)NC1CCCNC1
InChIInChI=1S/C9H20N2OS.C2H6/c1-2-3-7-13(12)11-9-5-4-6-10-8-9;1-2/h9-11H,2-8H2,1H3;1-2H3
InChIKeyDWFLBSSLVMXUAI-UHFFFAOYSA-N
MW234.41 g/mol
LogP1.82
Rot. Bonds5

About ethane;N-piperidin-3-ylbutane-1-sulfinamide

ethane;N-piperidin-3-ylbutane-1-sulfinamide (PubChem CID 145388637) has the molecular formula C11H26N2OS and a molecular weight of 234.41 g/mol. Its IUPAC name is ethane;N-piperidin-3-ylbutane-1-sulfinamide.

Molecular Properties

Compound Nameethane;N-piperidin-3-ylbutane-1-sulfinamide
PubChem CID145388637
Molecular FormulaC11H26N2OS
Molecular Weight234.41 g/mol
Exact Mass234.18
IUPAC Nameethane;N-piperidin-3-ylbutane-1-sulfinamide
SMILESCC.CCCCS(=O)NC1CCCNC1
InChIInChI=1S/C9H20N2OS.C2H6/c1-2-3-7-13(12)11-9-5-4-6-10-8-9;1-2/h9-11H,2-8H2,1H3;1-2H3
InChIKeyDWFLBSSLVMXUAI-UHFFFAOYSA-N
XLogP1.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze ethane;N-piperidin-3-ylbutane-1-sulfinamide 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 ethane;N-piperidin-3-ylbutane-1-sulfinamide?
The IUPAC name of ethane;N-piperidin-3-ylbutane-1-sulfinamide (CID 145388637) is ethane;N-piperidin-3-ylbutane-1-sulfinamide.
What is the SMILES notation for ethane;N-piperidin-3-ylbutane-1-sulfinamide?
The canonical SMILES for ethane;N-piperidin-3-ylbutane-1-sulfinamide is CC.CCCCS(=O)NC1CCCNC1.
What is the InChIKey of ethane;N-piperidin-3-ylbutane-1-sulfinamide?
The InChIKey is DWFLBSSLVMXUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS.C2H6/c1-2-3-7-13(12)11-9-5-4-6-10-8-9;1-2/h9-11H,2-8H2,1H3;1-2H3.
What are the key properties of ethane;N-piperidin-3-ylbutane-1-sulfinamide?
ethane;N-piperidin-3-ylbutane-1-sulfinamide has a molecular weight of 234.41 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-piperidin-3-ylbutane-1-sulfinamide is sourced from PubChem (CID 145388637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).