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

C11H26N2O3S — CID 79594312

IUPACN-(2-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)CC(N)CNS(=O)(=O)CCOC(C)C
InChIInChI=1S/C11H26N2O3S/c1-9(2)7-11(12)8-13-17(14,15)6-5-16-10(3)4/h9-11,13H,5-8,12H2,1-4H3
InChIKeyRGICOXSXXBFWIC-UHFFFAOYSA-N
MW266.41 g/mol
LogP0.70
Rot. Bonds9

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

N-(2-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 79594312) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(2-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide
PubChem CID79594312
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC NameN-(2-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)CC(N)CNS(=O)(=O)CCOC(C)C
InChIInChI=1S/C11H26N2O3S/c1-9(2)7-11(12)8-13-17(14,15)6-5-16-10(3)4/h9-11,13H,5-8,12H2,1-4H3
InChIKeyRGICOXSXXBFWIC-UHFFFAOYSA-N
XLogP0.70
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(2-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide (CID 79594312) is N-(2-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(2-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(2-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide is CC(C)CC(N)CNS(=O)(=O)CCOC(C)C.
What is the InChIKey of N-(2-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is RGICOXSXXBFWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-9(2)7-11(12)8-13-17(14,15)6-5-16-10(3)4/h9-11,13H,5-8,12H2,1-4H3.
What are the key properties of N-(2-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide?
N-(2-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 266.41 g/mol, XLogP of 0.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79594312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).