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

C9H20N2O3S — CID 66004552

IUPACN-[(3-aminocyclobutyl)methyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC1CC(N)C1
InChIInChI=1S/C9H20N2O3S/c1-14-3-2-4-15(12,13)11-7-8-5-9(10)6-8/h8-9,11H,2-7,10H2,1H3
InChIKeyKBVUJESUULFNON-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.32
Rot. Bonds7

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

N-[(3-aminocyclobutyl)methyl]-3-methoxypropane-1-sulfonamide (PubChem CID 66004552) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-3-methoxypropane-1-sulfonamide
PubChem CID66004552
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-[(3-aminocyclobutyl)methyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC1CC(N)C1
InChIInChI=1S/C9H20N2O3S/c1-14-3-2-4-15(12,13)11-7-8-5-9(10)6-8/h8-9,11H,2-7,10H2,1H3
InChIKeyKBVUJESUULFNON-UHFFFAOYSA-N
XLogP-0.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.32
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-aminocyclobutyl)methyl]-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-3-methoxypropane-1-sulfonamide (CID 66004552) is N-[(3-aminocyclobutyl)methyl]-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NCC1CC(N)C1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-3-methoxypropane-1-sulfonamide?
The InChIKey is KBVUJESUULFNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-14-3-2-4-15(12,13)11-7-8-5-9(10)6-8/h8-9,11H,2-7,10H2,1H3.
What are the key properties of N-[(3-aminocyclobutyl)methyl]-3-methoxypropane-1-sulfonamide?
N-[(3-aminocyclobutyl)methyl]-3-methoxypropane-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.32, 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]-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 66004552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).