3-(2,2-dimethylpropoxy)-N-(3-ethyl-2,2-dimethylpentan-3-yl)propane-1-sulfonamide

C17H37NO3S — CID 146352884

IUPAC3-(2,2-dimethylpropoxy)-N-(3-ethyl-2,2-dimethylpentan-3-yl)propane-1-sulfonamide
SMILESCCC(CC)(NS(=O)(=O)CCCOCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H37NO3S/c1-9-17(10-2,16(6,7)8)18-22(19,20)13-11-12-21-14-15(3,4)5/h18H,9-14H2,1-8H3
InChIKeyFKSDKGVETKZKEI-UHFFFAOYSA-N
MW335.55 g/mol
LogP3.96
Rot. Bonds9

About 3-(2,2-dimethylpropoxy)-N-(3-ethyl-2,2-dimethylpentan-3-yl)propane-1-sulfonamide

3-(2,2-dimethylpropoxy)-N-(3-ethyl-2,2-dimethylpentan-3-yl)propane-1-sulfonamide (PubChem CID 146352884) has the molecular formula C17H37NO3S and a molecular weight of 335.55 g/mol. Its IUPAC name is 3-(2,2-dimethylpropoxy)-N-(3-ethyl-2,2-dimethylpentan-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropoxy)-N-(3-ethyl-2,2-dimethylpentan-3-yl)propane-1-sulfonamide
PubChem CID146352884
Molecular FormulaC17H37NO3S
Molecular Weight335.55 g/mol
Exact Mass335.25
IUPAC Name3-(2,2-dimethylpropoxy)-N-(3-ethyl-2,2-dimethylpentan-3-yl)propane-1-sulfonamide
SMILESCCC(CC)(NS(=O)(=O)CCCOCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H37NO3S/c1-9-17(10-2,16(6,7)8)18-22(19,20)13-11-12-21-14-15(3,4)5/h18H,9-14H2,1-8H3
InChIKeyFKSDKGVETKZKEI-UHFFFAOYSA-N
XLogP3.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.55
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)propane-1-sulfonamide
CID 146352889
N-[3-(aminomethyl)pentan-3-yl]-3-methoxypropane-1-sulfonamide
CID 63290201
N-(1-bromo-2-methylbutan-2-yl)-3-methoxypropane-1-sulfonamide
CID 114293791
N-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide
CID 146353116
1-[2-(2,2-dimethylpropoxy)ethoxy]hexadecane
CID 175012315
1-[3-(2,2-dimethylpropoxy)propoxy]hexane
CID 166789205
N-(1-amino-2-methylpropan-2-yl)-2-ethoxyethanesulfonamide
CID 63246035
1-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane
CID 131972641
N-[3-(2-aminoethoxy)propyl]-3,3-dimethylbutane-1-sulfonamide
CID 114171594
2-ethyl-2-(3-methoxypropylsulfonylamino)butanoic acid
CID 79806636
1-methylsulfonyl-3-(3-methylsulfonylpropoxy)propane
CID 91149824
[1-[3-(2,2-dimethylpropoxy)propylsulfonyl]-2-methylpropan-2-yl]benzene
CID 158308844

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropoxy)-N-(3-ethyl-2,2-dimethylpentan-3-yl)propane-1-sulfonamide?
The IUPAC name of 3-(2,2-dimethylpropoxy)-N-(3-ethyl-2,2-dimethylpentan-3-yl)propane-1-sulfonamide (CID 146352884) is 3-(2,2-dimethylpropoxy)-N-(3-ethyl-2,2-dimethylpentan-3-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-(2,2-dimethylpropoxy)-N-(3-ethyl-2,2-dimethylpentan-3-yl)propane-1-sulfonamide?
The canonical SMILES for 3-(2,2-dimethylpropoxy)-N-(3-ethyl-2,2-dimethylpentan-3-yl)propane-1-sulfonamide is CCC(CC)(NS(=O)(=O)CCCOCC(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-(2,2-dimethylpropoxy)-N-(3-ethyl-2,2-dimethylpentan-3-yl)propane-1-sulfonamide?
The InChIKey is FKSDKGVETKZKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO3S/c1-9-17(10-2,16(6,7)8)18-22(19,20)13-11-12-21-14-15(3,4)5/h18H,9-14H2,1-8H3.
What are the key properties of 3-(2,2-dimethylpropoxy)-N-(3-ethyl-2,2-dimethylpentan-3-yl)propane-1-sulfonamide?
3-(2,2-dimethylpropoxy)-N-(3-ethyl-2,2-dimethylpentan-3-yl)propane-1-sulfonamide has a molecular weight of 335.55 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropoxy)-N-(3-ethyl-2,2-dimethylpentan-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 146352884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).