3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)propane-1-sulfonamide

C13H29NO3S — CID 146352889

IUPAC3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)propane-1-sulfonamide
SMILESCC(C)(C)CNS(=O)(=O)CCCOCC(C)(C)C
InChIInChI=1S/C13H29NO3S/c1-12(2,3)10-14-18(15,16)9-7-8-17-11-13(4,5)6/h14H,7-11H2,1-6H3
InChIKeyQVLHUBHXNKCSMY-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.40
Rot. Bonds7

About 3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)propane-1-sulfonamide

3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)propane-1-sulfonamide (PubChem CID 146352889) has the molecular formula C13H29NO3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)propane-1-sulfonamide
PubChem CID146352889
Molecular FormulaC13H29NO3S
Molecular Weight279.45 g/mol
Exact Mass279.19
IUPAC Name3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)propane-1-sulfonamide
SMILESCC(C)(C)CNS(=O)(=O)CCCOCC(C)(C)C
InChIInChI=1S/C13H29NO3S/c1-12(2,3)10-14-18(15,16)9-7-8-17-11-13(4,5)6/h14H,7-11H2,1-6H3
InChIKeyQVLHUBHXNKCSMY-UHFFFAOYSA-N
XLogP2.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.40
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-(3-ethyl-2,2-dimethylpentan-3-yl)propane-1-sulfonamide
CID 146352884
N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 115303463
N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide
CID 115365924
N-[3-(2-aminoethoxy)propyl]-3,3-dimethylbutane-1-sulfonamide
CID 114171594
N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide
CID 113347924
N-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide
CID 146353116
N-(2-amino-2-methylpropyl)butane-1-sulfonamide
CID 115303565
3-amino-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide
CID 104759977
1-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane
CID 131972641
N-(cyanomethyl)-3-methoxypropane-1-sulfonamide
CID 63290412
N-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide
CID 113249315
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2-dimethylpropane
CID 166572083

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)propane-1-sulfonamide?
The IUPAC name of 3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)propane-1-sulfonamide (CID 146352889) is 3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)propane-1-sulfonamide?
The canonical SMILES for 3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)propane-1-sulfonamide is CC(C)(C)CNS(=O)(=O)CCCOCC(C)(C)C.
What is the InChIKey of 3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)propane-1-sulfonamide?
The InChIKey is QVLHUBHXNKCSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3S/c1-12(2,3)10-14-18(15,16)9-7-8-17-11-13(4,5)6/h14H,7-11H2,1-6H3.
What are the key properties of 3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)propane-1-sulfonamide?
3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)propane-1-sulfonamide has a molecular weight of 279.45 g/mol, XLogP of 2.40, 7 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-(2,2-dimethylpropyl)propane-1-sulfonamide is sourced from PubChem (CID 146352889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).