1-(aminomethyl)-N-(benzenesulfonyl)cyclobutane-1-carboxamide

C12H16N2O3S — CID 103308752

IUPAC1-(aminomethyl)-N-(benzenesulfonyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NS(=O)(=O)c2ccccc2)CCC1
InChIInChI=1S/C12H16N2O3S/c13-9-12(7-4-8-12)11(15)14-18(16,17)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,13H2,(H,14,15)
InChIKeyYQGGCAQCYVGCOS-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.62
Rot. Bonds4

About 1-(aminomethyl)-N-(benzenesulfonyl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(benzenesulfonyl)cyclobutane-1-carboxamide (PubChem CID 103308752) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(benzenesulfonyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(benzenesulfonyl)cyclobutane-1-carboxamide
PubChem CID103308752
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name1-(aminomethyl)-N-(benzenesulfonyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NS(=O)(=O)c2ccccc2)CCC1
InChIInChI=1S/C12H16N2O3S/c13-9-12(7-4-8-12)11(15)14-18(16,17)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,13H2,(H,14,15)
InChIKeyYQGGCAQCYVGCOS-UHFFFAOYSA-N
XLogP0.62
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(benzenesulfonyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(benzenesulfonyl)cyclobutane-1-carboxamide (CID 103308752) is 1-(aminomethyl)-N-(benzenesulfonyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(benzenesulfonyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(benzenesulfonyl)cyclobutane-1-carboxamide is NCC1(C(=O)NS(=O)(=O)c2ccccc2)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(benzenesulfonyl)cyclobutane-1-carboxamide?
The InChIKey is YQGGCAQCYVGCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c13-9-12(7-4-8-12)11(15)14-18(16,17)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,13H2,(H,14,15).
What are the key properties of 1-(aminomethyl)-N-(benzenesulfonyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(benzenesulfonyl)cyclobutane-1-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(benzenesulfonyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 103308752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).