N-(2,4-dimethylpentan-3-yl)-3-(2-methylpropoxy)propane-1-sulfonamide

C14H31NO3S — CID 146352894

IUPACN-(2,4-dimethylpentan-3-yl)-3-(2-methylpropoxy)propane-1-sulfonamide
SMILESCC(C)COCCCS(=O)(=O)NC(C(C)C)C(C)C
InChIInChI=1S/C14H31NO3S/c1-11(2)10-18-8-7-9-19(16,17)15-14(12(3)4)13(5)6/h11-15H,7-10H2,1-6H3
InChIKeyMGPJNCFRUFFEEP-UHFFFAOYSA-N
MW293.47 g/mol
LogP2.65
Rot. Bonds10

About N-(2,4-dimethylpentan-3-yl)-3-(2-methylpropoxy)propane-1-sulfonamide

N-(2,4-dimethylpentan-3-yl)-3-(2-methylpropoxy)propane-1-sulfonamide (PubChem CID 146352894) has the molecular formula C14H31NO3S and a molecular weight of 293.47 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-yl)-3-(2-methylpropoxy)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-yl)-3-(2-methylpropoxy)propane-1-sulfonamide
PubChem CID146352894
Molecular FormulaC14H31NO3S
Molecular Weight293.47 g/mol
Exact Mass293.20
IUPAC NameN-(2,4-dimethylpentan-3-yl)-3-(2-methylpropoxy)propane-1-sulfonamide
SMILESCC(C)COCCCS(=O)(=O)NC(C(C)C)C(C)C
InChIInChI=1S/C14H31NO3S/c1-11(2)10-18-8-7-9-19(16,17)15-14(12(3)4)13(5)6/h11-15H,7-10H2,1-6H3
InChIKeyMGPJNCFRUFFEEP-UHFFFAOYSA-N
XLogP2.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-yl)-3-(2-methylpropoxy)propane-1-sulfonamide?
The IUPAC name of N-(2,4-dimethylpentan-3-yl)-3-(2-methylpropoxy)propane-1-sulfonamide (CID 146352894) is N-(2,4-dimethylpentan-3-yl)-3-(2-methylpropoxy)propane-1-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-yl)-3-(2-methylpropoxy)propane-1-sulfonamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-yl)-3-(2-methylpropoxy)propane-1-sulfonamide is CC(C)COCCCS(=O)(=O)NC(C(C)C)C(C)C.
What is the InChIKey of N-(2,4-dimethylpentan-3-yl)-3-(2-methylpropoxy)propane-1-sulfonamide?
The InChIKey is MGPJNCFRUFFEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3S/c1-11(2)10-18-8-7-9-19(16,17)15-14(12(3)4)13(5)6/h11-15H,7-10H2,1-6H3.
What are the key properties of N-(2,4-dimethylpentan-3-yl)-3-(2-methylpropoxy)propane-1-sulfonamide?
N-(2,4-dimethylpentan-3-yl)-3-(2-methylpropoxy)propane-1-sulfonamide has a molecular weight of 293.47 g/mol, XLogP of 2.65, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-yl)-3-(2-methylpropoxy)propane-1-sulfonamide is sourced from PubChem (CID 146352894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).