N-cyclopropyl-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide

C13H28N2O2S — CID 55001508

IUPACN-cyclopropyl-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCC(C)CN(C1CC1)S(=O)(=O)CCCNC(C)C
InChIInChI=1S/C13H28N2O2S/c1-11(2)10-15(13-6-7-13)18(16,17)9-5-8-14-12(3)4/h11-14H,5-10H2,1-4H3
InChIKeyWDRNRVARUSLEQY-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.82
Rot. Bonds9

About N-cyclopropyl-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide

N-cyclopropyl-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide (PubChem CID 55001508) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide
PubChem CID55001508
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-cyclopropyl-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCC(C)CN(C1CC1)S(=O)(=O)CCCNC(C)C
InChIInChI=1S/C13H28N2O2S/c1-11(2)10-15(13-6-7-13)18(16,17)9-5-8-14-12(3)4/h11-14H,5-10H2,1-4H3
InChIKeyWDRNRVARUSLEQY-UHFFFAOYSA-N
XLogP1.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-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-cyclopropyl-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The IUPAC name of N-cyclopropyl-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide (CID 55001508) is N-cyclopropyl-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide is CC(C)CN(C1CC1)S(=O)(=O)CCCNC(C)C.
What is the InChIKey of N-cyclopropyl-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The InChIKey is WDRNRVARUSLEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-11(2)10-15(13-6-7-13)18(16,17)9-5-8-14-12(3)4/h11-14H,5-10H2,1-4H3.
What are the key properties of N-cyclopropyl-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide?
N-cyclopropyl-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide is sourced from PubChem (CID 55001508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).