N-(3-methoxy-2,2-dimethylcyclobutyl)-2-(propan-2-ylamino)ethanesulfonamide

C12H26N2O3S — CID 114120022

IUPACN-(3-methoxy-2,2-dimethylcyclobutyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCOC1CC(NS(=O)(=O)CCNC(C)C)C1(C)C
InChIInChI=1S/C12H26N2O3S/c1-9(2)13-6-7-18(15,16)14-10-8-11(17-5)12(10,3)4/h9-11,13-14H,6-8H2,1-5H3
InChIKeyFWFWMFDRICTVDD-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.72
Rot. Bonds7

About N-(3-methoxy-2,2-dimethylcyclobutyl)-2-(propan-2-ylamino)ethanesulfonamide

N-(3-methoxy-2,2-dimethylcyclobutyl)-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 114120022) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(3-methoxy-2,2-dimethylcyclobutyl)-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-2,2-dimethylcyclobutyl)-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID114120022
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-(3-methoxy-2,2-dimethylcyclobutyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCOC1CC(NS(=O)(=O)CCNC(C)C)C1(C)C
InChIInChI=1S/C12H26N2O3S/c1-9(2)13-6-7-18(15,16)14-10-8-11(17-5)12(10,3)4/h9-11,13-14H,6-8H2,1-5H3
InChIKeyFWFWMFDRICTVDD-UHFFFAOYSA-N
XLogP0.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-methoxy-2,2-dimethylcyclobutyl)-2-(propan-2-ylamino)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)-2-(propan-2-ylamino)ethanesulfonamide (CID 114120022) is N-(3-methoxy-2,2-dimethylcyclobutyl)-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-(3-methoxy-2,2-dimethylcyclobutyl)-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-(3-methoxy-2,2-dimethylcyclobutyl)-2-(propan-2-ylamino)ethanesulfonamide is COC1CC(NS(=O)(=O)CCNC(C)C)C1(C)C.
What is the InChIKey of N-(3-methoxy-2,2-dimethylcyclobutyl)-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is FWFWMFDRICTVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-9(2)13-6-7-18(15,16)14-10-8-11(17-5)12(10,3)4/h9-11,13-14H,6-8H2,1-5H3.
What are the key properties of N-(3-methoxy-2,2-dimethylcyclobutyl)-2-(propan-2-ylamino)ethanesulfonamide?
N-(3-methoxy-2,2-dimethylcyclobutyl)-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,2-dimethylcyclobutyl)-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 114120022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).