N-[(3-aminocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide

C10H22N2O3S — CID 79600522

IUPACN-[(3-aminocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCC1CC(N)C1
InChIInChI=1S/C10H22N2O3S/c1-8(2)15-3-4-16(13,14)12-7-9-5-10(11)6-9/h8-10,12H,3-7,11H2,1-2H3
InChIKeyPDCLUBHAPSRQIJ-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.07
Rot. Bonds7

About N-[(3-aminocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide

N-[(3-aminocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 79600522) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide
PubChem CID79600522
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-[(3-aminocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCC1CC(N)C1
InChIInChI=1S/C10H22N2O3S/c1-8(2)15-3-4-16(13,14)12-7-9-5-10(11)6-9/h8-10,12H,3-7,11H2,1-2H3
InChIKeyPDCLUBHAPSRQIJ-UHFFFAOYSA-N
XLogP0.07
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide (CID 79600522) is N-[(3-aminocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)NCC1CC(N)C1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is PDCLUBHAPSRQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-8(2)15-3-4-16(13,14)12-7-9-5-10(11)6-9/h8-10,12H,3-7,11H2,1-2H3.
What are the key properties of N-[(3-aminocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide?
N-[(3-aminocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79600522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).