N-ethyl-4-ethylsulfonyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine

C17H35NO2S — CID 115865177

IUPACN-ethyl-4-ethylsulfonyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine
SMILESCCNC(CCCS(=O)(=O)CC)C1(CC(C)C)CCCC1
InChIInChI=1S/C17H35NO2S/c1-5-18-16(10-9-13-21(19,20)6-2)17(14-15(3)4)11-7-8-12-17/h15-16,18H,5-14H2,1-4H3
InChIKeyYDHROEHVEBSGTA-UHFFFAOYSA-N
MW317.54 g/mol
LogP3.79
Rot. Bonds10

About N-ethyl-4-ethylsulfonyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine

N-ethyl-4-ethylsulfonyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine (PubChem CID 115865177) has the molecular formula C17H35NO2S and a molecular weight of 317.54 g/mol. Its IUPAC name is N-ethyl-4-ethylsulfonyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-ethylsulfonyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine
PubChem CID115865177
Molecular FormulaC17H35NO2S
Molecular Weight317.54 g/mol
Exact Mass317.24
IUPAC NameN-ethyl-4-ethylsulfonyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine
SMILESCCNC(CCCS(=O)(=O)CC)C1(CC(C)C)CCCC1
InChIInChI=1S/C17H35NO2S/c1-5-18-16(10-9-13-21(19,20)6-2)17(14-15(3)4)11-7-8-12-17/h15-16,18H,5-14H2,1-4H3
InChIKeyYDHROEHVEBSGTA-UHFFFAOYSA-N
XLogP3.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.54
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-4-ethylsulfonyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(1-ethylcyclopentyl)-4-ethylsulfonylbutyl]hydrazine
CID 105310891
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-phenylpropan-1-amine
CID 115793603
1-[1-(2-methylpropyl)cyclopentyl]-N-propylheptan-1-amine
CID 115833191
N-ethyl-1-(1-methylcyclohexyl)-4-methylsulfonylbutan-1-amine
CID 106829882
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 115779478
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(oxolan-2-yl)propan-1-amine
CID 104993519
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029722
N-ethyl-4-ethylsulfonyl-1-(4-methoxyoxan-4-yl)butan-1-amine
CID 116764968
N-ethyl-2-methyl-1-[1-(2-methylpropyl)cyclopentyl]pentan-1-amine
CID 107894025
1-(1-ethoxycyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 116761963
[4-ethylsulfonyl-1-(1-methoxycyclopentyl)butyl]hydrazine
CID 105268624
4-ethylsulfonyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine
CID 116762936

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-ethylsulfonyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine?
The IUPAC name of N-ethyl-4-ethylsulfonyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine (CID 115865177) is N-ethyl-4-ethylsulfonyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine.
What is the SMILES notation for N-ethyl-4-ethylsulfonyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine?
The canonical SMILES for N-ethyl-4-ethylsulfonyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine is CCNC(CCCS(=O)(=O)CC)C1(CC(C)C)CCCC1.
What is the InChIKey of N-ethyl-4-ethylsulfonyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine?
The InChIKey is YDHROEHVEBSGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2S/c1-5-18-16(10-9-13-21(19,20)6-2)17(14-15(3)4)11-7-8-12-17/h15-16,18H,5-14H2,1-4H3.
What are the key properties of N-ethyl-4-ethylsulfonyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine?
N-ethyl-4-ethylsulfonyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine has a molecular weight of 317.54 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-ethylsulfonyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine is sourced from PubChem (CID 115865177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).