N-[(3-hydroxycyclobutyl)methyl]-3-methoxypropane-1-sulfonamide

C9H19NO4S — CID 66007391

IUPACN-[(3-hydroxycyclobutyl)methyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC1CC(O)C1
InChIInChI=1S/C9H19NO4S/c1-14-3-2-4-15(12,13)10-7-8-5-9(11)6-8/h8-11H,2-7H2,1H3
InChIKeyJSTNXTVXMVYESE-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.29
Rot. Bonds7

About N-[(3-hydroxycyclobutyl)methyl]-3-methoxypropane-1-sulfonamide

N-[(3-hydroxycyclobutyl)methyl]-3-methoxypropane-1-sulfonamide (PubChem CID 66007391) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]-3-methoxypropane-1-sulfonamide
PubChem CID66007391
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC1CC(O)C1
InChIInChI=1S/C9H19NO4S/c1-14-3-2-4-15(12,13)10-7-8-5-9(11)6-8/h8-11H,2-7H2,1H3
InChIKeyJSTNXTVXMVYESE-UHFFFAOYSA-N
XLogP-0.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-3-methoxypropane-1-sulfonamide (CID 66007391) is N-[(3-hydroxycyclobutyl)methyl]-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NCC1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-3-methoxypropane-1-sulfonamide?
The InChIKey is JSTNXTVXMVYESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-14-3-2-4-15(12,13)10-7-8-5-9(11)6-8/h8-11H,2-7H2,1H3.
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-3-methoxypropane-1-sulfonamide?
N-[(3-hydroxycyclobutyl)methyl]-3-methoxypropane-1-sulfonamide has a molecular weight of 237.32 g/mol, XLogP of -0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 66007391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).