N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]propane-2-sulfonamide

C15H28N2O2S — CID 75420188

IUPACN-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCCN(C2C=CCCC2)C1
InChIInChI=1S/C15H28N2O2S/c1-13(2)20(18,19)16-11-14-7-6-10-17(12-14)15-8-4-3-5-9-15/h4,8,13-16H,3,5-7,9-12H2,1-2H3
InChIKeyVREGBTOHCPMNFJ-UHFFFAOYSA-N
MW300.47 g/mol
LogP2.13
Rot. Bonds5

About N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]propane-2-sulfonamide

N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]propane-2-sulfonamide (PubChem CID 75420188) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]propane-2-sulfonamide
PubChem CID75420188
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC NameN-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCCN(C2C=CCCC2)C1
InChIInChI=1S/C15H28N2O2S/c1-13(2)20(18,19)16-11-14-7-6-10-17(12-14)15-8-4-3-5-9-15/h4,8,13-16H,3,5-7,9-12H2,1-2H3
InChIKeyVREGBTOHCPMNFJ-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]propane-2-sulfonamide 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 N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]propane-2-sulfonamide?
The IUPAC name of N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]propane-2-sulfonamide (CID 75420188) is N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]propane-2-sulfonamide?
The canonical SMILES for N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCC1CCCN(C2C=CCCC2)C1.
What is the InChIKey of N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]propane-2-sulfonamide?
The InChIKey is VREGBTOHCPMNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-13(2)20(18,19)16-11-14-7-6-10-17(12-14)15-8-4-3-5-9-15/h4,8,13-16H,3,5-7,9-12H2,1-2H3.
What are the key properties of N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]propane-2-sulfonamide?
N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]propane-2-sulfonamide has a molecular weight of 300.47 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 75420188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).