3-amino-N-cyclopentyl-N,2,5,6-tetramethylbenzenesulfonamide

C15H24N2O2S — CID 106503761

IUPAC3-amino-N-cyclopentyl-N,2,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)N(C)C2CCCC2)c1C
InChIInChI=1S/C15H24N2O2S/c1-10-9-14(16)12(3)15(11(10)2)20(18,19)17(4)13-7-5-6-8-13/h9,13H,5-8,16H2,1-4H3
InChIKeyJGCBBZCJCFBVFU-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.76
Rot. Bonds3

About 3-amino-N-cyclopentyl-N,2,5,6-tetramethylbenzenesulfonamide

3-amino-N-cyclopentyl-N,2,5,6-tetramethylbenzenesulfonamide (PubChem CID 106503761) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-amino-N-cyclopentyl-N,2,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclopentyl-N,2,5,6-tetramethylbenzenesulfonamide
PubChem CID106503761
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-amino-N-cyclopentyl-N,2,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)N(C)C2CCCC2)c1C
InChIInChI=1S/C15H24N2O2S/c1-10-9-14(16)12(3)15(11(10)2)20(18,19)17(4)13-7-5-6-8-13/h9,13H,5-8,16H2,1-4H3
InChIKeyJGCBBZCJCFBVFU-UHFFFAOYSA-N
XLogP2.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,2,5,6-tetramethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 106505264
3-amino-N-cyclohexyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107325531
3-amino-N-cyclobutyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326206
3-amino-5-chloro-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
CID 43266875
N-cycloheptyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326759
3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide
CID 114380287
N-(1-ethylpiperidin-4-yl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 35324512
5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
CID 114625046
3-amino-N-(2-cyanoethyl)-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide
CID 106504507
5-amino-4-bromo-N-cyclohexyl-N,2-dimethylbenzenesulfonamide
CID 114624845
5-amino-N-cyclopropyl-N,2,3-trimethylbenzenesulfonamide
CID 43264630
2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
CID 43266857

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopentyl-N,2,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-cyclopentyl-N,2,5,6-tetramethylbenzenesulfonamide (CID 106503761) is 3-amino-N-cyclopentyl-N,2,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-cyclopentyl-N,2,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-cyclopentyl-N,2,5,6-tetramethylbenzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)N(C)C2CCCC2)c1C.
What is the InChIKey of 3-amino-N-cyclopentyl-N,2,5,6-tetramethylbenzenesulfonamide?
The InChIKey is JGCBBZCJCFBVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10-9-14(16)12(3)15(11(10)2)20(18,19)17(4)13-7-5-6-8-13/h9,13H,5-8,16H2,1-4H3.
What are the key properties of 3-amino-N-cyclopentyl-N,2,5,6-tetramethylbenzenesulfonamide?
3-amino-N-cyclopentyl-N,2,5,6-tetramethylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopentyl-N,2,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 106503761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).