N-[(3-aminocyclobutyl)methyl]-3-methylsulfonylbenzamide

C13H18N2O3S — CID 66006871

IUPACN-[(3-aminocyclobutyl)methyl]-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NCC2CC(N)C2)c1
InChIInChI=1S/C13H18N2O3S/c1-19(17,18)12-4-2-3-10(7-12)13(16)15-8-9-5-11(14)6-9/h2-4,7,9,11H,5-6,8,14H2,1H3,(H,15,16)
InChIKeyZDFPOIFCOPBODD-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.56
Rot. Bonds4

About N-[(3-aminocyclobutyl)methyl]-3-methylsulfonylbenzamide

N-[(3-aminocyclobutyl)methyl]-3-methylsulfonylbenzamide (PubChem CID 66006871) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-3-methylsulfonylbenzamide
PubChem CID66006871
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-[(3-aminocyclobutyl)methyl]-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NCC2CC(N)C2)c1
InChIInChI=1S/C13H18N2O3S/c1-19(17,18)12-4-2-3-10(7-12)13(16)15-8-9-5-11(14)6-9/h2-4,7,9,11H,5-6,8,14H2,1H3,(H,15,16)
InChIKeyZDFPOIFCOPBODD-UHFFFAOYSA-N
XLogP0.56
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-aminocyclobutyl)methyl]-3-(dimethylamino)benzamide
CID 66006240
N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride
CID 119478074
N-cyclopropyl-3-methylsulfonylbenzamide
CID 18105935
N-(2-amino-2-cyclopropylethyl)-3-methylsulfonylbenzamide
CID 55243718
N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylsulfonylbenzamide
CID 95271489
N-[2-(methylamino)propyl]-3-methylsulfonylbenzamide;hydrochloride
CID 120832243
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724
N-(2-bromopropyl)-3-methylsulfonylbenzamide
CID 114308747
N-(azetidin-3-yl)-3-methylsulfonylbenzamide
CID 66186520
methyl 2-iodo-3-[(3-methylsulfonylbenzoyl)amino]propanoate
CID 103493340
N-bromo-3-methylsulfonylbenzamide
CID 174925666
N-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methylsulfonylbenzamide
CID 98318394

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-3-methylsulfonylbenzamide (CID 66006871) is N-[(3-aminocyclobutyl)methyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)NCC2CC(N)C2)c1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-3-methylsulfonylbenzamide?
The InChIKey is ZDFPOIFCOPBODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-19(17,18)12-4-2-3-10(7-12)13(16)15-8-9-5-11(14)6-9/h2-4,7,9,11H,5-6,8,14H2,1H3,(H,15,16).
What are the key properties of N-[(3-aminocyclobutyl)methyl]-3-methylsulfonylbenzamide?
N-[(3-aminocyclobutyl)methyl]-3-methylsulfonylbenzamide has a molecular weight of 282.37 g/mol, XLogP of 0.56, 4 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-methylsulfonylbenzamide is sourced from PubChem (CID 66006871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).