N-(1-cyclopentylethyl)-4-[2-(methylamino)ethyl]benzenesulfonamide

C16H26N2O2S — CID 106066113

IUPACN-(1-cyclopentylethyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCc1ccc(S(=O)(=O)NC(C)C2CCCC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-13(15-5-3-4-6-15)18-21(19,20)16-9-7-14(8-10-16)11-12-17-2/h7-10,13,15,17-18H,3-6,11-12H2,1-2H3
InChIKeyULHOPYGZFREKFT-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.31
Rot. Bonds7

About N-(1-cyclopentylethyl)-4-[2-(methylamino)ethyl]benzenesulfonamide

N-(1-cyclopentylethyl)-4-[2-(methylamino)ethyl]benzenesulfonamide (PubChem CID 106066113) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-4-[2-(methylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
PubChem CID106066113
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(1-cyclopentylethyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCc1ccc(S(=O)(=O)NC(C)C2CCCC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-13(15-5-3-4-6-15)18-21(19,20)16-9-7-14(8-10-16)11-12-17-2/h7-10,13,15,17-18H,3-6,11-12H2,1-2H3
InChIKeyULHOPYGZFREKFT-UHFFFAOYSA-N
XLogP2.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-aminopropyl)-N-(1-cyclobutylethyl)benzenesulfonamide
CID 106084795
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
N-(1-cyclopropylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60823570
N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106066098
N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide
CID 60823571
4-[2-(methylamino)ethyl]-N-(thian-4-yl)benzenesulfonamide
CID 106084491
4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816866
6-(aminomethyl)-N-(1-cyclopentylethyl)pyridine-3-sulfonamide
CID 114613542
N-(1-cyclobutylethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106084908
3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide
CID 106084883
4-[2-(cyclopropylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide
CID 106046169

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-4-[2-(methylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-(1-cyclopentylethyl)-4-[2-(methylamino)ethyl]benzenesulfonamide (CID 106066113) is N-(1-cyclopentylethyl)-4-[2-(methylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(1-cyclopentylethyl)-4-[2-(methylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-(1-cyclopentylethyl)-4-[2-(methylamino)ethyl]benzenesulfonamide is CNCCc1ccc(S(=O)(=O)NC(C)C2CCCC2)cc1.
What is the InChIKey of N-(1-cyclopentylethyl)-4-[2-(methylamino)ethyl]benzenesulfonamide?
The InChIKey is ULHOPYGZFREKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-13(15-5-3-4-6-15)18-21(19,20)16-9-7-14(8-10-16)11-12-17-2/h7-10,13,15,17-18H,3-6,11-12H2,1-2H3.
What are the key properties of N-(1-cyclopentylethyl)-4-[2-(methylamino)ethyl]benzenesulfonamide?
N-(1-cyclopentylethyl)-4-[2-(methylamino)ethyl]benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-4-[2-(methylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 106066113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).