N-(3-butoxypropyl)-N-methylpropane-2-sulfonamide

C11H25NO3S — CID 167136356

IUPACN-(3-butoxypropyl)-N-methylpropane-2-sulfonamide
SMILESCCCCOCCCN(C)S(=O)(=O)C(C)C
InChIInChI=1S/C11H25NO3S/c1-5-6-9-15-10-7-8-12(4)16(13,14)11(2)3/h11H,5-10H2,1-4H3
InChIKeyVTDVTGXUADOADK-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.86
Rot. Bonds9

About N-(3-butoxypropyl)-N-methylpropane-2-sulfonamide

N-(3-butoxypropyl)-N-methylpropane-2-sulfonamide (PubChem CID 167136356) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is N-(3-butoxypropyl)-N-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-N-methylpropane-2-sulfonamide
PubChem CID167136356
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC NameN-(3-butoxypropyl)-N-methylpropane-2-sulfonamide
SMILESCCCCOCCCN(C)S(=O)(=O)C(C)C
InChIInChI=1S/C11H25NO3S/c1-5-6-9-15-10-7-8-12(4)16(13,14)11(2)3/h11H,5-10H2,1-4H3
InChIKeyVTDVTGXUADOADK-UHFFFAOYSA-N
XLogP1.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-butoxypropyl)-N-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-(3-butoxypropyl)-N-methylpropane-2-sulfonamide?
The IUPAC name of N-(3-butoxypropyl)-N-methylpropane-2-sulfonamide (CID 167136356) is N-(3-butoxypropyl)-N-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(3-butoxypropyl)-N-methylpropane-2-sulfonamide?
The canonical SMILES for N-(3-butoxypropyl)-N-methylpropane-2-sulfonamide is CCCCOCCCN(C)S(=O)(=O)C(C)C.
What is the InChIKey of N-(3-butoxypropyl)-N-methylpropane-2-sulfonamide?
The InChIKey is VTDVTGXUADOADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-5-6-9-15-10-7-8-12(4)16(13,14)11(2)3/h11H,5-10H2,1-4H3.
What are the key properties of N-(3-butoxypropyl)-N-methylpropane-2-sulfonamide?
N-(3-butoxypropyl)-N-methylpropane-2-sulfonamide has a molecular weight of 251.39 g/mol, XLogP of 1.86, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-N-methylpropane-2-sulfonamide is sourced from PubChem (CID 167136356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).