N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylcyclopropanesulfonamide

C12H23NO3S — CID 99774640

IUPACN-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylcyclopropanesulfonamide
SMILESCCO[C@H]1C[C@H](N(C)S(=O)(=O)C2CC2)C1(C)C
InChIInChI=1S/C12H23NO3S/c1-5-16-11-8-10(12(11,2)3)13(4)17(14,15)9-6-7-9/h9-11H,5-8H2,1-4H3/t10-,11-/m0/s1
InChIKeyOBCKWDWIGSXNDN-QWRGUYRKSA-N
MW261.39 g/mol
LogP1.61
Rot. Bonds5

About N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylcyclopropanesulfonamide

N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylcyclopropanesulfonamide (PubChem CID 99774640) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylcyclopropanesulfonamide
PubChem CID99774640
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC NameN-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylcyclopropanesulfonamide
SMILESCCO[C@H]1C[C@H](N(C)S(=O)(=O)C2CC2)C1(C)C
InChIInChI=1S/C12H23NO3S/c1-5-16-11-8-10(12(11,2)3)13(4)17(14,15)9-6-7-9/h9-11H,5-8H2,1-4H3/t10-,11-/m0/s1
InChIKeyOBCKWDWIGSXNDN-QWRGUYRKSA-N
XLogP1.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylcyclopropanesulfonamide?
The IUPAC name of N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylcyclopropanesulfonamide (CID 99774640) is N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylcyclopropanesulfonamide is CCO[C@H]1C[C@H](N(C)S(=O)(=O)C2CC2)C1(C)C.
What is the InChIKey of N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylcyclopropanesulfonamide?
The InChIKey is OBCKWDWIGSXNDN-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-5-16-11-8-10(12(11,2)3)13(4)17(14,15)9-6-7-9/h9-11H,5-8H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylcyclopropanesulfonamide?
N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylcyclopropanesulfonamide has a molecular weight of 261.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 99774640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).