N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide

C16H26N2O2S — CID 114548187

IUPACN-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC2CCC(C)(C)C2)cc1
InChIInChI=1S/C16H26N2O2S/c1-4-17-12-13-5-7-15(8-6-13)21(19,20)18-14-9-10-16(2,3)11-14/h5-8,14,17-18H,4,9-12H2,1-3H3
InChIKeyHNQZFDFLLZUXRO-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.65
Rot. Bonds6

About N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide

N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide (PubChem CID 114548187) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide
PubChem CID114548187
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC2CCC(C)(C)C2)cc1
InChIInChI=1S/C16H26N2O2S/c1-4-17-12-13-5-7-15(8-6-13)21(19,20)18-14-9-10-16(2,3)11-14/h5-8,14,17-18H,4,9-12H2,1-3H3
InChIKeyHNQZFDFLLZUXRO-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715786
4-(bromomethyl)-N-(4,4-dimethylcyclohexyl)benzenesulfonamide
CID 65481434
4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 63361233
N-(3,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylfuran-3-sulfonamide
CID 114552223
N-(3,3-dimethylcyclopentyl)-2-hydroxybenzenesulfonamide
CID 114548715
N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide
CID 114545447
N-(3,3-dimethylcyclopentyl)-2-(ethylamino)benzenesulfonamide
CID 114551008
N-(3,3-dimethylcyclopentyl)-6-(methylamino)pyridine-3-sulfonamide
CID 114551015
N-(3,3-dimethylcyclopentyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422453
3-(aminomethyl)-4-chloro-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
CID 114552139
4-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 700216
N-(3,3-dimethylcyclopentyl)-2-(ethylamino)ethanesulfonamide
CID 114548169

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide (CID 114548187) is N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide is CCNCc1ccc(S(=O)(=O)NC2CCC(C)(C)C2)cc1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide?
The InChIKey is HNQZFDFLLZUXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-17-12-13-5-7-15(8-6-13)21(19,20)18-14-9-10-16(2,3)11-14/h5-8,14,17-18H,4,9-12H2,1-3H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide?
N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 114548187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).