N-[(2-aminocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide

C11H24N2O3S — CID 79600162

IUPACN-[(2-aminocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCC1CCCC1N
InChIInChI=1S/C11H24N2O3S/c1-9(2)16-6-7-17(14,15)13-8-10-4-3-5-11(10)12/h9-11,13H,3-8,12H2,1-2H3
InChIKeyDLJPSUCHANCWHP-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.46
Rot. Bonds7

About N-[(2-aminocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide

N-[(2-aminocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 79600162) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(2-aminocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[(2-aminocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide
PubChem CID79600162
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-[(2-aminocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCC1CCCC1N
InChIInChI=1S/C11H24N2O3S/c1-9(2)16-6-7-17(14,15)13-8-10-4-3-5-11(10)12/h9-11,13H,3-8,12H2,1-2H3
InChIKeyDLJPSUCHANCWHP-UHFFFAOYSA-N
XLogP0.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[(2-aminocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide (CID 79600162) is N-[(2-aminocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[(2-aminocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[(2-aminocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)NCC1CCCC1N.
What is the InChIKey of N-[(2-aminocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is DLJPSUCHANCWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-9(2)16-6-7-17(14,15)13-8-10-4-3-5-11(10)12/h9-11,13H,3-8,12H2,1-2H3.
What are the key properties of N-[(2-aminocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide?
N-[(2-aminocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79600162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).