N-(3-aminocyclobutyl)-2-propan-2-yloxyethanesulfonamide

C9H20N2O3S — CID 79594397

IUPACN-(3-aminocyclobutyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NC1CC(N)C1
InChIInChI=1S/C9H20N2O3S/c1-7(2)14-3-4-15(12,13)11-9-5-8(10)6-9/h7-9,11H,3-6,10H2,1-2H3
InChIKeyQLZDTQKOLXRRML-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.18
Rot. Bonds6

About N-(3-aminocyclobutyl)-2-propan-2-yloxyethanesulfonamide

N-(3-aminocyclobutyl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 79594397) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-2-propan-2-yloxyethanesulfonamide
PubChem CID79594397
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-(3-aminocyclobutyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NC1CC(N)C1
InChIInChI=1S/C9H20N2O3S/c1-7(2)14-3-4-15(12,13)11-9-5-8(10)6-9/h7-9,11H,3-6,10H2,1-2H3
InChIKeyQLZDTQKOLXRRML-UHFFFAOYSA-N
XLogP-0.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(3-aminocyclobutyl)-2-propan-2-yloxyethanesulfonamide (CID 79594397) is N-(3-aminocyclobutyl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(3-aminocyclobutyl)-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)NC1CC(N)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is QLZDTQKOLXRRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-7(2)14-3-4-15(12,13)11-9-5-8(10)6-9/h7-9,11H,3-6,10H2,1-2H3.
What are the key properties of N-(3-aminocyclobutyl)-2-propan-2-yloxyethanesulfonamide?
N-(3-aminocyclobutyl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79594397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).