1-cyano-N-(3-ethoxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide

C12H22N2O3S — CID 103850424

IUPAC1-cyano-N-(3-ethoxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide
SMILESCCOC1CC(NS(=O)(=O)C(C#N)CC)C1(C)C
InChIInChI=1S/C12H22N2O3S/c1-5-9(8-13)18(15,16)14-10-7-11(17-6-2)12(10,3)4/h9-11,14H,5-7H2,1-4H3
InChIKeySQWYPJQWMOYSRK-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.41
Rot. Bonds6

About 1-cyano-N-(3-ethoxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide

1-cyano-N-(3-ethoxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide (PubChem CID 103850424) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-cyano-N-(3-ethoxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-(3-ethoxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide
PubChem CID103850424
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name1-cyano-N-(3-ethoxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide
SMILESCCOC1CC(NS(=O)(=O)C(C#N)CC)C1(C)C
InChIInChI=1S/C12H22N2O3S/c1-5-9(8-13)18(15,16)14-10-7-11(17-6-2)12(10,3)4/h9-11,14H,5-7H2,1-4H3
InChIKeySQWYPJQWMOYSRK-UHFFFAOYSA-N
XLogP1.41
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine
CID 113352099
(2R)-2-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)butanamide
CID 104878201
(2S)-2-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)butanamide
CID 103797512
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-methylpropanamide
CID 64851351
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
1-cyano-N-(1-methylcyclobutyl)propane-1-sulfonamide
CID 115766985
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 114119196
3-ethoxy-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
CID 82719565
ethyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanoate
CID 64688546
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methylpentanoic acid
CID 64853101
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylaniline
CID 64852282
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N,N-diethylpropanamide
CID 64688946

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3-ethoxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-(3-ethoxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide (CID 103850424) is 1-cyano-N-(3-ethoxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-(3-ethoxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-(3-ethoxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide is CCOC1CC(NS(=O)(=O)C(C#N)CC)C1(C)C.
What is the InChIKey of 1-cyano-N-(3-ethoxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide?
The InChIKey is SQWYPJQWMOYSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-5-9(8-13)18(15,16)14-10-7-11(17-6-2)12(10,3)4/h9-11,14H,5-7H2,1-4H3.
What are the key properties of 1-cyano-N-(3-ethoxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide?
1-cyano-N-(3-ethoxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(3-ethoxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide is sourced from PubChem (CID 103850424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).