5-amino-3-[(3-ethyl-2-methylcyclopentyl)amino]-2-methylbenzenesulfonamide

C15H25N3O2S — CID 79901581

IUPAC5-amino-3-[(3-ethyl-2-methylcyclopentyl)amino]-2-methylbenzenesulfonamide
SMILESCCC1CCC(Nc2cc(N)cc(S(N)(=O)=O)c2C)C1C
InChIInChI=1S/C15H25N3O2S/c1-4-11-5-6-13(9(11)2)18-14-7-12(16)8-15(10(14)3)21(17,19)20/h7-9,11,13,18H,4-6,16H2,1-3H3,(H2,17,19,20)
InChIKeyGOUSSGLBMQWRCL-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.46
Rot. Bonds4

About 5-amino-3-[(3-ethyl-2-methylcyclopentyl)amino]-2-methylbenzenesulfonamide

5-amino-3-[(3-ethyl-2-methylcyclopentyl)amino]-2-methylbenzenesulfonamide (PubChem CID 79901581) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 5-amino-3-[(3-ethyl-2-methylcyclopentyl)amino]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-[(3-ethyl-2-methylcyclopentyl)amino]-2-methylbenzenesulfonamide
PubChem CID79901581
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name5-amino-3-[(3-ethyl-2-methylcyclopentyl)amino]-2-methylbenzenesulfonamide
SMILESCCC1CCC(Nc2cc(N)cc(S(N)(=O)=O)c2C)C1C
InChIInChI=1S/C15H25N3O2S/c1-4-11-5-6-13(9(11)2)18-14-7-12(16)8-15(10(14)3)21(17,19)20/h7-9,11,13,18H,4-6,16H2,1-3H3,(H2,17,19,20)
InChIKeyGOUSSGLBMQWRCL-UHFFFAOYSA-N
XLogP2.46
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(3-ethyl-2-methylcyclopentyl)amino]-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-3-[(3-ethyl-2-methylcyclopentyl)amino]-2-methylbenzenesulfonamide (CID 79901581) is 5-amino-3-[(3-ethyl-2-methylcyclopentyl)amino]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-[(3-ethyl-2-methylcyclopentyl)amino]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-[(3-ethyl-2-methylcyclopentyl)amino]-2-methylbenzenesulfonamide is CCC1CCC(Nc2cc(N)cc(S(N)(=O)=O)c2C)C1C.
What is the InChIKey of 5-amino-3-[(3-ethyl-2-methylcyclopentyl)amino]-2-methylbenzenesulfonamide?
The InChIKey is GOUSSGLBMQWRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-11-5-6-13(9(11)2)18-14-7-12(16)8-15(10(14)3)21(17,19)20/h7-9,11,13,18H,4-6,16H2,1-3H3,(H2,17,19,20).
What are the key properties of 5-amino-3-[(3-ethyl-2-methylcyclopentyl)amino]-2-methylbenzenesulfonamide?
5-amino-3-[(3-ethyl-2-methylcyclopentyl)amino]-2-methylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(3-ethyl-2-methylcyclopentyl)amino]-2-methylbenzenesulfonamide is sourced from PubChem (CID 79901581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).