5-amino-2-(cyclobutylamino)-N-methylbenzenesulfonamide

C11H17N3O2S — CID 103286994

IUPAC5-amino-2-(cyclobutylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NC1CCC1
InChIInChI=1S/C11H17N3O2S/c1-13-17(15,16)11-7-8(12)5-6-10(11)14-9-3-2-4-9/h5-7,9,13-14H,2-4,12H2,1H3
InChIKeyYMRSRNUNWBOCDB-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.14
Rot. Bonds4

About 5-amino-2-(cyclobutylamino)-N-methylbenzenesulfonamide

5-amino-2-(cyclobutylamino)-N-methylbenzenesulfonamide (PubChem CID 103286994) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-amino-2-(cyclobutylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(cyclobutylamino)-N-methylbenzenesulfonamide
PubChem CID103286994
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name5-amino-2-(cyclobutylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NC1CCC1
InChIInChI=1S/C11H17N3O2S/c1-13-17(15,16)11-7-8(12)5-6-10(11)14-9-3-2-4-9/h5-7,9,13-14H,2-4,12H2,1H3
InChIKeyYMRSRNUNWBOCDB-UHFFFAOYSA-N
XLogP1.14
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[(3-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 103287126
5-amino-N-methyl-2-(thian-3-ylamino)benzenesulfonamide
CID 103287438
5-amino-N-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide
CID 106252171
5-amino-N-methyl-2-[(2-methylcyclopropyl)methylamino]benzenesulfonamide
CID 103287354
5-amino-N-methyl-2-[(1-methylpiperidin-2-yl)methylamino]benzenesulfonamide
CID 103286939
5-amino-2-[cycloheptyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103286784
5-amino-2-[(3-hydroxycyclobutyl)methylamino]-N-methylbenzenesulfonamide
CID 103287162
2-(cyclopropylamino)-N-methylbenzenesulfonamide
CID 43454291
5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 103287459
5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 103286731
5-amino-N-methyl-2-(2,4,4-trimethylpentan-2-ylamino)benzenesulfonamide
CID 103286934
5-amino-N-methyl-2-(2-methylanilino)benzenesulfonamide
CID 103286687

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(cyclobutylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-(cyclobutylamino)-N-methylbenzenesulfonamide (CID 103286994) is 5-amino-2-(cyclobutylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-(cyclobutylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-(cyclobutylamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1NC1CCC1.
What is the InChIKey of 5-amino-2-(cyclobutylamino)-N-methylbenzenesulfonamide?
The InChIKey is YMRSRNUNWBOCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-13-17(15,16)11-7-8(12)5-6-10(11)14-9-3-2-4-9/h5-7,9,13-14H,2-4,12H2,1H3.
What are the key properties of 5-amino-2-(cyclobutylamino)-N-methylbenzenesulfonamide?
5-amino-2-(cyclobutylamino)-N-methylbenzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(cyclobutylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 103286994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).