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

C11H22ClNO3S — CID 79600521

IUPACN-[(2-chlorocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCC1CCCC1Cl
InChIInChI=1S/C11H22ClNO3S/c1-9(2)16-6-7-17(14,15)13-8-10-4-3-5-11(10)12/h9-11,13H,3-8H2,1-2H3
InChIKeyXDIZTBYDMROVNA-UHFFFAOYSA-N
MW283.82 g/mol
LogP1.74
Rot. Bonds7

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

N-[(2-chlorocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 79600521) has the molecular formula C11H22ClNO3S and a molecular weight of 283.82 g/mol. Its IUPAC name is N-[(2-chlorocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide
PubChem CID79600521
Molecular FormulaC11H22ClNO3S
Molecular Weight283.82 g/mol
Exact Mass283.10
IUPAC NameN-[(2-chlorocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCC1CCCC1Cl
InChIInChI=1S/C11H22ClNO3S/c1-9(2)16-6-7-17(14,15)13-8-10-4-3-5-11(10)12/h9-11,13H,3-8H2,1-2H3
InChIKeyXDIZTBYDMROVNA-UHFFFAOYSA-N
XLogP1.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79600162
N-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79593790
N-[(2-chlorocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521739
N-[(3-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 114146872
N-(piperidin-2-ylmethyl)-2-propan-2-yloxyethanesulfonamide
CID 79593606
N-[(2-chlorocyclohexyl)methyl]-1-cyclopropylmethanesulfonamide
CID 65032688
N-[[(4S)-1,3-dioxan-4-yl]methyl]-2-propan-2-yloxyethanesulfonamide
CID 97085411
N-[(2-bromocyclohexyl)methyl]-2-methoxyethanesulfonamide
CID 114297606
N-[(2-chlorocyclohexyl)methyl]cyclopentanesulfonamide
CID 105361712
N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide
CID 83029580
N-(morpholin-2-ylmethyl)-2-propan-2-yloxyethanesulfonamide
CID 79593928
N-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide
CID 115674519

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[(2-chlorocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide (CID 79600521) is N-[(2-chlorocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[(2-chlorocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[(2-chlorocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)NCC1CCCC1Cl.
What is the InChIKey of N-[(2-chlorocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is XDIZTBYDMROVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO3S/c1-9(2)16-6-7-17(14,15)13-8-10-4-3-5-11(10)12/h9-11,13H,3-8H2,1-2H3.
What are the key properties of N-[(2-chlorocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide?
N-[(2-chlorocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 283.82 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79600521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).