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

C8H17NO4S — CID 66006740

IUPACN-[(3-hydroxycyclobutyl)methyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCC1CC(O)C1
InChIInChI=1S/C8H17NO4S/c1-13-2-3-14(11,12)9-6-7-4-8(10)5-7/h7-10H,2-6H2,1H3
InChIKeyKUNSANAIQZYADY-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.68
Rot. Bonds6

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

N-[(3-hydroxycyclobutyl)methyl]-2-methoxyethanesulfonamide (PubChem CID 66006740) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]-2-methoxyethanesulfonamide
PubChem CID66006740
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCC1CC(O)C1
InChIInChI=1S/C8H17NO4S/c1-13-2-3-14(11,12)9-6-7-4-8(10)5-7/h7-10H,2-6H2,1H3
InChIKeyKUNSANAIQZYADY-UHFFFAOYSA-N
XLogP-0.68
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-2-methoxyethanesulfonamide (CID 66006740) is N-[(3-hydroxycyclobutyl)methyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)NCC1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-2-methoxyethanesulfonamide?
The InChIKey is KUNSANAIQZYADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-13-2-3-14(11,12)9-6-7-4-8(10)5-7/h7-10H,2-6H2,1H3.
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-2-methoxyethanesulfonamide?
N-[(3-hydroxycyclobutyl)methyl]-2-methoxyethanesulfonamide has a molecular weight of 223.29 g/mol, XLogP of -0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 66006740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).