N-[(1S,2R)-2-aminocyclobutyl]-2-methyl-5-sulfamoylbenzamide

C12H17N3O3S — CID 56884915

IUPACN-[(1S,2R)-2-aminocyclobutyl]-2-methyl-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CC[C@H]1N
InChIInChI=1S/C12H17N3O3S/c1-7-2-3-8(19(14,17)18)6-9(7)12(16)15-11-5-4-10(11)13/h2-3,6,10-11H,4-5,13H2,1H3,(H,15,16)(H2,14,17,18)/t10-,11+/m1/s1
InChIKeyFRXDJBSQDGZLHI-MNOVXSKESA-N
MW283.35 g/mol
LogP-0.14
Rot. Bonds3

About N-[(1S,2R)-2-aminocyclobutyl]-2-methyl-5-sulfamoylbenzamide

N-[(1S,2R)-2-aminocyclobutyl]-2-methyl-5-sulfamoylbenzamide (PubChem CID 56884915) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[(1S,2R)-2-aminocyclobutyl]-2-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-aminocyclobutyl]-2-methyl-5-sulfamoylbenzamide
PubChem CID56884915
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-[(1S,2R)-2-aminocyclobutyl]-2-methyl-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CC[C@H]1N
InChIInChI=1S/C12H17N3O3S/c1-7-2-3-8(19(14,17)18)6-9(7)12(16)15-11-5-4-10(11)13/h2-3,6,10-11H,4-5,13H2,1H3,(H,15,16)(H2,14,17,18)/t10-,11+/m1/s1
InChIKeyFRXDJBSQDGZLHI-MNOVXSKESA-N
XLogP-0.14
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(2-propylcyclopropyl)-5-sulfamoylbenzamide
CID 113246084
methyl 4-[(2-methyl-5-sulfamoylbenzoyl)amino]piperidine-1-carboxylate
CID 47072778
N-(2-aminocycloheptyl)-5-bromo-2-methylbenzamide
CID 65312155
N-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide
CID 63994388
2-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 46651162
N-cyclopropyl-2-fluoro-3-methyl-5-sulfamoylbenzamide
CID 81479218
N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methyl-5-sulfamoylbenzamide
CID 155496416
N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide
CID 79079912
2-fluoro-N-(2-propylcyclopropyl)-5-sulfamoylbenzamide
CID 103713869
2-cyclopropylethyl 2-methyl-5-sulfamoylbenzoate
CID 103714805
N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide
CID 38196154
2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
CID 46522108

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-aminocyclobutyl]-2-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-[(1S,2R)-2-aminocyclobutyl]-2-methyl-5-sulfamoylbenzamide (CID 56884915) is N-[(1S,2R)-2-aminocyclobutyl]-2-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-[(1S,2R)-2-aminocyclobutyl]-2-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-[(1S,2R)-2-aminocyclobutyl]-2-methyl-5-sulfamoylbenzamide is Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CC[C@H]1N.
What is the InChIKey of N-[(1S,2R)-2-aminocyclobutyl]-2-methyl-5-sulfamoylbenzamide?
The InChIKey is FRXDJBSQDGZLHI-MNOVXSKESA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-7-2-3-8(19(14,17)18)6-9(7)12(16)15-11-5-4-10(11)13/h2-3,6,10-11H,4-5,13H2,1H3,(H,15,16)(H2,14,17,18)/t10-,11+/m1/s1.
What are the key properties of N-[(1S,2R)-2-aminocyclobutyl]-2-methyl-5-sulfamoylbenzamide?
N-[(1S,2R)-2-aminocyclobutyl]-2-methyl-5-sulfamoylbenzamide has a molecular weight of 283.35 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-aminocyclobutyl]-2-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 56884915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).