3-amino-N-cyclopentyl-5-methyl-N-prop-2-enylbenzenesulfonamide

C15H22N2O2S — CID 61115680

IUPAC3-amino-N-cyclopentyl-5-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C1CCCC1)S(=O)(=O)c1cc(C)cc(N)c1
InChIInChI=1S/C15H22N2O2S/c1-3-8-17(14-6-4-5-7-14)20(18,19)15-10-12(2)9-13(16)11-15/h3,9-11,14H,1,4-8,16H2,2H3
InChIKeyKREIVSPYPOJWTA-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.70
Rot. Bonds5

About 3-amino-N-cyclopentyl-5-methyl-N-prop-2-enylbenzenesulfonamide

3-amino-N-cyclopentyl-5-methyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 61115680) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-amino-N-cyclopentyl-5-methyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclopentyl-5-methyl-N-prop-2-enylbenzenesulfonamide
PubChem CID61115680
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name3-amino-N-cyclopentyl-5-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C1CCCC1)S(=O)(=O)c1cc(C)cc(N)c1
InChIInChI=1S/C15H22N2O2S/c1-3-8-17(14-6-4-5-7-14)20(18,19)15-10-12(2)9-13(16)11-15/h3,9-11,14H,1,4-8,16H2,2H3
InChIKeyKREIVSPYPOJWTA-UHFFFAOYSA-N
XLogP2.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Amino-2,N,N-trimethyl-benzenesulfonamide
CID 235529
2-amino-N,N-dimethyltoluene-4-sulphonamide
CID 235528
3-[(1,3,3-Trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]phenylamine
CID 4030855
N-[4-(diethylsulfamoyl)phenyl]-3-methylbenzenesulfonamide
CID 2099919
3,4-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 3606713
N-(3-(2-(methylamino)ethyl)phenyl)benzenesulfonamide
CID 11849203
N-(3-(2-(dimethylamino)ethyl)phenyl)benzenesulfonamide
CID 11849745
3-amino-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
CID 118732077
N-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 4680273
4-amino-N-benzyl-N-methylbenzene-1-sulfonamide
CID 832628
3-Amino-N,N-diethylbenzene-1-sulfonamide
CID 2963515
5-amino-N,N-diethyl-2-methylbenzene-1-sulfonamide
CID 3643281

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopentyl-5-methyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 3-amino-N-cyclopentyl-5-methyl-N-prop-2-enylbenzenesulfonamide (CID 61115680) is 3-amino-N-cyclopentyl-5-methyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-cyclopentyl-5-methyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-cyclopentyl-5-methyl-N-prop-2-enylbenzenesulfonamide is C=CCN(C1CCCC1)S(=O)(=O)c1cc(C)cc(N)c1.
What is the InChIKey of 3-amino-N-cyclopentyl-5-methyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is KREIVSPYPOJWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-8-17(14-6-4-5-7-14)20(18,19)15-10-12(2)9-13(16)11-15/h3,9-11,14H,1,4-8,16H2,2H3.
What are the key properties of 3-amino-N-cyclopentyl-5-methyl-N-prop-2-enylbenzenesulfonamide?
3-amino-N-cyclopentyl-5-methyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 294.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopentyl-5-methyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 61115680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).