N-(5-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide

C11H26N2O3S — CID 106154298

IUPACN-(5-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(CN)CCCNS(=O)(=O)CCOC(C)C
InChIInChI=1S/C11H26N2O3S/c1-10(2)16-7-8-17(14,15)13-6-4-5-11(3)9-12/h10-11,13H,4-9,12H2,1-3H3
InChIKeyWJNZSTFIBMXRGZ-UHFFFAOYSA-N
MW266.41 g/mol
LogP0.71
Rot. Bonds10

About N-(5-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide

N-(5-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 106154298) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(5-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(5-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide
PubChem CID106154298
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC NameN-(5-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(CN)CCCNS(=O)(=O)CCOC(C)C
InChIInChI=1S/C11H26N2O3S/c1-10(2)16-7-8-17(14,15)13-6-4-5-11(3)9-12/h10-11,13H,4-9,12H2,1-3H3
InChIKeyWJNZSTFIBMXRGZ-UHFFFAOYSA-N
XLogP0.71
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(5-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(5-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide (CID 106154298) is N-(5-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(5-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(5-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide is CC(CN)CCCNS(=O)(=O)CCOC(C)C.
What is the InChIKey of N-(5-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is WJNZSTFIBMXRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-10(2)16-7-8-17(14,15)13-6-4-5-11(3)9-12/h10-11,13H,4-9,12H2,1-3H3.
What are the key properties of N-(5-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide?
N-(5-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 266.41 g/mol, XLogP of 0.71, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 106154298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).