N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxypropane-1-sulfonamide

C11H24ClNO3S — CID 106356510

IUPACN-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC(CCCl)C(C)(C)C
InChIInChI=1S/C11H24ClNO3S/c1-11(2,3)10(6-7-12)13-17(14,15)9-5-8-16-4/h10,13H,5-9H2,1-4H3
InChIKeySKKNSXJZZYOVAK-UHFFFAOYSA-N
MW285.84 g/mol
LogP1.99
Rot. Bonds8

About N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxypropane-1-sulfonamide

N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxypropane-1-sulfonamide (PubChem CID 106356510) has the molecular formula C11H24ClNO3S and a molecular weight of 285.84 g/mol. Its IUPAC name is N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxypropane-1-sulfonamide
PubChem CID106356510
Molecular FormulaC11H24ClNO3S
Molecular Weight285.84 g/mol
Exact Mass285.12
IUPAC NameN-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC(CCCl)C(C)(C)C
InChIInChI=1S/C11H24ClNO3S/c1-11(2,3)10(6-7-12)13-17(14,15)9-5-8-16-4/h10,13H,5-9H2,1-4H3
InChIKeySKKNSXJZZYOVAK-UHFFFAOYSA-N
XLogP1.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 51.99
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

N-(1-chloro-4,4-dimethylpentan-3-yl)cyclopropanesulfonamide
CID 106356504
N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethoxyethanesulfonamide
CID 106357429
1-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,4-dimethylpentan-3-amine
CID 106354187
3-methoxy-N-pent-4-yn-2-ylpropane-1-sulfonamide
CID 115662705
3-(2-chloroethyl)-6-methoxyhexan-2-one
CID 103344104
2-(3,3-dimethylbutylsulfonylamino)-5-methoxypentanoic acid
CID 104936567
methyl 3-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]propanoate
CID 106353436
N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 115303463
N-(1-bromo-4,4-dimethylpentan-3-yl)-3-methylbutane-1-sulfonamide
CID 106356613
N'-hydroxy-2-(3-methoxypropylsulfonylamino)-3-methylbutanimidamide
CID 77038730
1-chloro-6-(3-methoxypropylsulfonyl)hexane
CID 63857365
N-(3-bromo-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 114298100

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxypropane-1-sulfonamide (CID 106356510) is N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NC(CCCl)C(C)(C)C.
What is the InChIKey of N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxypropane-1-sulfonamide?
The InChIKey is SKKNSXJZZYOVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO3S/c1-11(2,3)10(6-7-12)13-17(14,15)9-5-8-16-4/h10,13H,5-9H2,1-4H3.
What are the key properties of N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxypropane-1-sulfonamide?
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxypropane-1-sulfonamide has a molecular weight of 285.84 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 106356510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).