N-[(3-aminocyclobutyl)methyl]-2-methoxyethanesulfonamide

C8H18N2O3S — CID 66004761

IUPACN-[(3-aminocyclobutyl)methyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCC1CC(N)C1
InChIInChI=1S/C8H18N2O3S/c1-13-2-3-14(11,12)10-6-7-4-8(9)5-7/h7-8,10H,2-6,9H2,1H3
InChIKeyUTCPORFUKRAGSE-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.71
Rot. Bonds6

About N-[(3-aminocyclobutyl)methyl]-2-methoxyethanesulfonamide

N-[(3-aminocyclobutyl)methyl]-2-methoxyethanesulfonamide (PubChem CID 66004761) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-2-methoxyethanesulfonamide
PubChem CID66004761
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-[(3-aminocyclobutyl)methyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCC1CC(N)C1
InChIInChI=1S/C8H18N2O3S/c1-13-2-3-14(11,12)10-6-7-4-8(9)5-7/h7-8,10H,2-6,9H2,1H3
InChIKeyUTCPORFUKRAGSE-UHFFFAOYSA-N
XLogP-0.71
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.71
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-methoxyethanesulfonamide?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-2-methoxyethanesulfonamide (CID 66004761) is N-[(3-aminocyclobutyl)methyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)NCC1CC(N)C1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-2-methoxyethanesulfonamide?
The InChIKey is UTCPORFUKRAGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-13-2-3-14(11,12)10-6-7-4-8(9)5-7/h7-8,10H,2-6,9H2,1H3.
What are the key properties of N-[(3-aminocyclobutyl)methyl]-2-methoxyethanesulfonamide?
N-[(3-aminocyclobutyl)methyl]-2-methoxyethanesulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.71, 6 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-methoxyethanesulfonamide is sourced from PubChem (CID 66004761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).