1-cyano-N-(3-ethoxycyclobutyl)methanesulfonamide

C8H14N2O3S — CID 102609527

IUPAC1-cyano-N-(3-ethoxycyclobutyl)methanesulfonamide
SMILESCCOC1CC(NS(=O)(=O)CC#N)C1
InChIInChI=1S/C8H14N2O3S/c1-2-13-8-5-7(6-8)10-14(11,12)4-3-9/h7-8,10H,2,4-6H2,1H3
InChIKeyMYZAEJGJFXGVPG-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.00
Rot. Bonds5

About 1-cyano-N-(3-ethoxycyclobutyl)methanesulfonamide

1-cyano-N-(3-ethoxycyclobutyl)methanesulfonamide (PubChem CID 102609527) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-cyano-N-(3-ethoxycyclobutyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(3-ethoxycyclobutyl)methanesulfonamide
PubChem CID102609527
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name1-cyano-N-(3-ethoxycyclobutyl)methanesulfonamide
SMILESCCOC1CC(NS(=O)(=O)CC#N)C1
InChIInChI=1S/C8H14N2O3S/c1-2-13-8-5-7(6-8)10-14(11,12)4-3-9/h7-8,10H,2,4-6H2,1H3
InChIKeyMYZAEJGJFXGVPG-UHFFFAOYSA-N
XLogP-0.00
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclobutyl-2-methoxybutane-1-sulfonamide
CID 164632063
N-(3-methoxycyclobutyl)propane-2-sulfonamide
CID 104600591
3-methoxy-N-propan-2-ylcyclobutane-1-sulfonamide
CID 170288558
1-cyano-N-(4-methoxybutan-2-yl)methanesulfonamide
CID 64605682
1-cyano-N-(3-hydroxycyclobutyl)ethanesulfonamide
CID 65971609
1-cyano-N-(3-hydroxycyclobutyl)propane-1-sulfonamide
CID 65972055
1-cyano-N-(3-hydroxycyclobutyl)methanesulfonamide
CID 65972266
3-(2-Methylsulfonylethoxy)cyclobutan-1-amine
CID 65980921
3-(3-Methylsulfonylpropoxy)cyclobutan-1-amine
CID 65983481
3-(2-Ethylsulfonylethoxy)cyclobutan-1-amine
CID 65983672
N-(2-amino-4-ethoxycyclobutyl)propane-1-sulfonamide
CID 66194748
N-(2-amino-4-ethoxycyclobutyl)butane-1-sulfonamide
CID 66194937

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3-ethoxycyclobutyl)methanesulfonamide?
The IUPAC name of 1-cyano-N-(3-ethoxycyclobutyl)methanesulfonamide (CID 102609527) is 1-cyano-N-(3-ethoxycyclobutyl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N-(3-ethoxycyclobutyl)methanesulfonamide?
The canonical SMILES for 1-cyano-N-(3-ethoxycyclobutyl)methanesulfonamide is CCOC1CC(NS(=O)(=O)CC#N)C1.
What is the InChIKey of 1-cyano-N-(3-ethoxycyclobutyl)methanesulfonamide?
The InChIKey is MYZAEJGJFXGVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-2-13-8-5-7(6-8)10-14(11,12)4-3-9/h7-8,10H,2,4-6H2,1H3.
What are the key properties of 1-cyano-N-(3-ethoxycyclobutyl)methanesulfonamide?
1-cyano-N-(3-ethoxycyclobutyl)methanesulfonamide has a molecular weight of 218.28 g/mol, XLogP of -0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(3-ethoxycyclobutyl)methanesulfonamide is sourced from PubChem (CID 102609527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).