N-cyclopentyloxy-2-methylpropane-2-sulfonamide

C9H19NO3S — CID 83229785

IUPACN-cyclopentyloxy-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NOC1CCCC1
InChIInChI=1S/C9H19NO3S/c1-9(2,3)14(11,12)10-13-8-6-4-5-7-8/h8,10H,4-7H2,1-3H3
InChIKeyIQYTTYAFZMCSKZ-UHFFFAOYSA-N
MW221.32 g/mol
LogP1.58
Rot. Bonds3

About N-cyclopentyloxy-2-methylpropane-2-sulfonamide

N-cyclopentyloxy-2-methylpropane-2-sulfonamide (PubChem CID 83229785) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-cyclopentyloxy-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyloxy-2-methylpropane-2-sulfonamide
PubChem CID83229785
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-cyclopentyloxy-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NOC1CCCC1
InChIInChI=1S/C9H19NO3S/c1-9(2,3)14(11,12)10-13-8-6-4-5-7-8/h8,10H,4-7H2,1-3H3
InChIKeyIQYTTYAFZMCSKZ-UHFFFAOYSA-N
XLogP1.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-cyclopentyloxy-2-methylpropane-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-cyclopentyloxy-2-methylpropane-2-sulfonamide?
The IUPAC name of N-cyclopentyloxy-2-methylpropane-2-sulfonamide (CID 83229785) is N-cyclopentyloxy-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-cyclopentyloxy-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-cyclopentyloxy-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NOC1CCCC1.
What is the InChIKey of N-cyclopentyloxy-2-methylpropane-2-sulfonamide?
The InChIKey is IQYTTYAFZMCSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-9(2,3)14(11,12)10-13-8-6-4-5-7-8/h8,10H,4-7H2,1-3H3.
What are the key properties of N-cyclopentyloxy-2-methylpropane-2-sulfonamide?
N-cyclopentyloxy-2-methylpropane-2-sulfonamide has a molecular weight of 221.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 83229785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).