N-butyl-1-cyclopropylsulfonylazetidine-3-carboxamide

C11H20N2O3S — CID 90513338

IUPACN-butyl-1-cyclopropylsulfonylazetidine-3-carboxamide
SMILESCCCCNC(=O)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C11H20N2O3S/c1-2-3-6-12-11(14)9-7-13(8-9)17(15,16)10-4-5-10/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeyRDTUJDRSXFOSBA-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.33
Rot. Bonds6

About N-butyl-1-cyclopropylsulfonylazetidine-3-carboxamide

N-butyl-1-cyclopropylsulfonylazetidine-3-carboxamide (PubChem CID 90513338) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-butyl-1-cyclopropylsulfonylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-cyclopropylsulfonylazetidine-3-carboxamide
PubChem CID90513338
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-butyl-1-cyclopropylsulfonylazetidine-3-carboxamide
SMILESCCCCNC(=O)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C11H20N2O3S/c1-2-3-6-12-11(14)9-7-13(8-9)17(15,16)10-4-5-10/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeyRDTUJDRSXFOSBA-UHFFFAOYSA-N
XLogP0.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-butyl-1-cyclopropylsulfonylazetidine-3-carboxamide?
The IUPAC name of N-butyl-1-cyclopropylsulfonylazetidine-3-carboxamide (CID 90513338) is N-butyl-1-cyclopropylsulfonylazetidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-cyclopropylsulfonylazetidine-3-carboxamide?
The canonical SMILES for N-butyl-1-cyclopropylsulfonylazetidine-3-carboxamide is CCCCNC(=O)C1CN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of N-butyl-1-cyclopropylsulfonylazetidine-3-carboxamide?
The InChIKey is RDTUJDRSXFOSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-2-3-6-12-11(14)9-7-13(8-9)17(15,16)10-4-5-10/h9-10H,2-8H2,1H3,(H,12,14).
What are the key properties of N-butyl-1-cyclopropylsulfonylazetidine-3-carboxamide?
N-butyl-1-cyclopropylsulfonylazetidine-3-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-cyclopropylsulfonylazetidine-3-carboxamide is sourced from PubChem (CID 90513338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).