N-[2-(benzenesulfonyl)ethyl]-N-(2-methoxyethyl)cyclopentanamine

C16H25NO3S — CID 126800474

IUPACN-[2-(benzenesulfonyl)ethyl]-N-(2-methoxyethyl)cyclopentanamine
SMILESCOCCN(CCS(=O)(=O)c1ccccc1)C1CCCC1
InChIInChI=1S/C16H25NO3S/c1-20-13-11-17(15-7-5-6-8-15)12-14-21(18,19)16-9-3-2-4-10-16/h2-4,9-10,15H,5-8,11-14H2,1H3
InChIKeyDWMALYTZVFQXDY-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.35
Rot. Bonds8

About N-[2-(benzenesulfonyl)ethyl]-N-(2-methoxyethyl)cyclopentanamine

N-[2-(benzenesulfonyl)ethyl]-N-(2-methoxyethyl)cyclopentanamine (PubChem CID 126800474) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-N-(2-methoxyethyl)cyclopentanamine.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-N-(2-methoxyethyl)cyclopentanamine
PubChem CID126800474
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-N-(2-methoxyethyl)cyclopentanamine
SMILESCOCCN(CCS(=O)(=O)c1ccccc1)C1CCCC1
InChIInChI=1S/C16H25NO3S/c1-20-13-11-17(15-7-5-6-8-15)12-14-21(18,19)16-9-3-2-4-10-16/h2-4,9-10,15H,5-8,11-14H2,1H3
InChIKeyDWMALYTZVFQXDY-UHFFFAOYSA-N
XLogP2.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(Benzenesulfonyl)ethyl]morpholine
CID 2818767
4-[3-(Benzenesulfonyl)propyl]-1-(2-methoxyethyl)-2-methylpiperazine
CID 53624146
1-(2-Benzenesulfonyl-1-methyl-ethyl)-piperidine
CID 574429
4-[1-(Phenylsulfonyl)propan-2-yl]morpholine
CID 2827602
Ethyl 2-((phenylsulfonyl)methyl)pyrrolidine-1-carboxylate
CID 71805871
(3S,4R)-3-morpholin-4-yl-4-(phenylsulfonyl)thiolane-1,1-dione
CID 20897737
(3R4S)-3-(4-Fluorobenzenesulfonyl)-4-(morpholin-4-YL)-1lambda6-thiolane-11-dione
CID 20897867
4-[2-(Benzenesulfonyl)ethyl]-2-methylmorpholine
CID 51074785
[(2S)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methanol
CID 75467509
[(2R)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methanol
CID 95314907
CID 134958319
CID 134958319
3-(benzenesulfonyl)-4-methoxy-N-methyl-N-prop-2-enylbutan-1-amine
CID 177930539

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-N-(2-methoxyethyl)cyclopentanamine?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-N-(2-methoxyethyl)cyclopentanamine (CID 126800474) is N-[2-(benzenesulfonyl)ethyl]-N-(2-methoxyethyl)cyclopentanamine.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-N-(2-methoxyethyl)cyclopentanamine?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-N-(2-methoxyethyl)cyclopentanamine is COCCN(CCS(=O)(=O)c1ccccc1)C1CCCC1.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-N-(2-methoxyethyl)cyclopentanamine?
The InChIKey is DWMALYTZVFQXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-20-13-11-17(15-7-5-6-8-15)12-14-21(18,19)16-9-3-2-4-10-16/h2-4,9-10,15H,5-8,11-14H2,1H3.
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-N-(2-methoxyethyl)cyclopentanamine?
N-[2-(benzenesulfonyl)ethyl]-N-(2-methoxyethyl)cyclopentanamine has a molecular weight of 311.45 g/mol, XLogP of 2.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-N-(2-methoxyethyl)cyclopentanamine is sourced from PubChem (CID 126800474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).