N-(5-chloropentyl)-2-propan-2-yloxyethanesulfonamide

C10H22ClNO3S — CID 107322763

IUPACN-(5-chloropentyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCCCCCCl
InChIInChI=1S/C10H22ClNO3S/c1-10(2)15-8-9-16(13,14)12-7-5-3-4-6-11/h10,12H,3-9H2,1-2H3
InChIKeyGAWDAEVFLWEDBE-UHFFFAOYSA-N
MW271.81 g/mol
LogP1.74
Rot. Bonds10

About N-(5-chloropentyl)-2-propan-2-yloxyethanesulfonamide

N-(5-chloropentyl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 107322763) has the molecular formula C10H22ClNO3S and a molecular weight of 271.81 g/mol. Its IUPAC name is N-(5-chloropentyl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-2-propan-2-yloxyethanesulfonamide
PubChem CID107322763
Molecular FormulaC10H22ClNO3S
Molecular Weight271.81 g/mol
Exact Mass271.10
IUPAC NameN-(5-chloropentyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCCCCCCl
InChIInChI=1S/C10H22ClNO3S/c1-10(2)15-8-9-16(13,14)12-7-5-3-4-6-11/h10,12H,3-9H2,1-2H3
InChIKeyGAWDAEVFLWEDBE-UHFFFAOYSA-N
XLogP1.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid
CID 79594453
4-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79593674
N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide
CID 79593799
N-(6-chlorohexyl)-2-methylsulfonylethanesulfonamide
CID 107849083
4-(2-propan-2-yloxyethylsulfonylamino)butanethioamide
CID 79593867
2-methyl-5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid
CID 104683008
3-chloro-2-methyl-N-(4-propan-2-yloxybutyl)propane-1-sulfonamide
CID 106014455
6-chloro-N-pentylhexane-1-sulfonamide
CID 57134163
N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyethanesulfonamide
CID 79592869
5-chloro-N-(2-propan-2-yloxyethyl)pentan-1-amine
CID 107319832
N'-hydroxy-4-(2-propan-2-yloxyethylsulfonylamino)butanimidamide
CID 79593807
N-(4-chlorobutan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 83178902

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(5-chloropentyl)-2-propan-2-yloxyethanesulfonamide (CID 107322763) is N-(5-chloropentyl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(5-chloropentyl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(5-chloropentyl)-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)NCCCCCCl.
What is the InChIKey of N-(5-chloropentyl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is GAWDAEVFLWEDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO3S/c1-10(2)15-8-9-16(13,14)12-7-5-3-4-6-11/h10,12H,3-9H2,1-2H3.
What are the key properties of N-(5-chloropentyl)-2-propan-2-yloxyethanesulfonamide?
N-(5-chloropentyl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 271.81 g/mol, XLogP of 1.74, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 107322763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).