N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide

C15H23NO2S — CID 114545447

IUPACN-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)NC2CCC(C)(C)C2)c1
InChIInChI=1S/C15H23NO2S/c1-11-7-12(2)9-14(8-11)19(17,18)16-13-5-6-15(3,4)10-13/h7-9,13,16H,5-6,10H2,1-4H3
InChIKeyOSRPQPGVJQWOTB-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.16
Rot. Bonds3

About N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide

N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide (PubChem CID 114545447) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide
PubChem CID114545447
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)NC2CCC(C)(C)C2)c1
InChIInChI=1S/C15H23NO2S/c1-11-7-12(2)9-14(8-11)19(17,18)16-13-5-6-15(3,4)10-13/h7-9,13,16H,5-6,10H2,1-4H3
InChIKeyOSRPQPGVJQWOTB-UHFFFAOYSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79111370
N-(3,3-dimethylcyclopentyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422453
3-amino-N-(3,3-dimethylcyclopentyl)-2,6-dimethylbenzenesulfonamide
CID 114542968
5-amino-N-(3,3-dimethylcyclopentyl)-2-methoxy-4-methylbenzenesulfonamide
CID 114542964
N-(3,3-dimethylcyclopentyl)-6-(methylamino)pyridine-3-sulfonamide
CID 114551015
3-(aminomethyl)-4-chloro-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
CID 114552139
5-[(cyclopropylamino)methyl]-N-(3,3-dimethylcyclopentyl)thiophene-3-sulfonamide
CID 114552184
N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide
CID 114548187
N-(3,3-dimethylcyclopentyl)-2-hydroxybenzenesulfonamide
CID 114548715
3-bromo-N-cyclopropyl-5-methylbenzenesulfonamide
CID 82184304
4-[(3,3-dimethylcyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 114543702
5-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methylbenzenesulfonamide
CID 114545529

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide (CID 114545447) is N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide is Cc1cc(C)cc(S(=O)(=O)NC2CCC(C)(C)C2)c1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide?
The InChIKey is OSRPQPGVJQWOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11-7-12(2)9-14(8-11)19(17,18)16-13-5-6-15(3,4)10-13/h7-9,13,16H,5-6,10H2,1-4H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide?
N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide has a molecular weight of 281.42 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 114545447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).