N-[1-cyclopentyl-2-(cyclopentylmethylsulfonyl)ethyl]propan-1-amine

C16H31NO2S — CID 104754263

IUPACN-[1-cyclopentyl-2-(cyclopentylmethylsulfonyl)ethyl]propan-1-amine
SMILESCCCNC(CS(=O)(=O)CC1CCCC1)C1CCCC1
InChIInChI=1S/C16H31NO2S/c1-2-11-17-16(15-9-5-6-10-15)13-20(18,19)12-14-7-3-4-8-14/h14-17H,2-13H2,1H3
InChIKeyLCDAURWZXNMNKP-UHFFFAOYSA-N
MW301.50 g/mol
LogP3.15
Rot. Bonds8

About N-[1-cyclopentyl-2-(cyclopentylmethylsulfonyl)ethyl]propan-1-amine

N-[1-cyclopentyl-2-(cyclopentylmethylsulfonyl)ethyl]propan-1-amine (PubChem CID 104754263) has the molecular formula C16H31NO2S and a molecular weight of 301.50 g/mol. Its IUPAC name is N-[1-cyclopentyl-2-(cyclopentylmethylsulfonyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopentyl-2-(cyclopentylmethylsulfonyl)ethyl]propan-1-amine
PubChem CID104754263
Molecular FormulaC16H31NO2S
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC NameN-[1-cyclopentyl-2-(cyclopentylmethylsulfonyl)ethyl]propan-1-amine
SMILESCCCNC(CS(=O)(=O)CC1CCCC1)C1CCCC1
InChIInChI=1S/C16H31NO2S/c1-2-11-17-16(15-9-5-6-10-15)13-20(18,19)12-14-7-3-4-8-14/h14-17H,2-13H2,1H3
InChIKeyLCDAURWZXNMNKP-UHFFFAOYSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-cyclopentyl-2-(cyclopentylmethylsulfonyl)ethyl]propan-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

N-[2-(cyclopentylmethylsulfonyl)-1-cyclopropylethyl]propan-1-amine
CID 64674734
N-(1-cyclohexyl-2-propylsulfonylethyl)propan-1-amine
CID 104754032
N-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine
CID 105027602
2-[2-cyclopentyl-2-(propylamino)ethyl]sulfonylacetamide
CID 114231996
1-cyclopentyl-N-ethyl-2-propylsulfonylethanamine
CID 104754033
1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 80611662
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
6-(cyclopentylmethylsulfonyl)-N-propylhexan-3-amine
CID 106807857
1-cyclopentyl-N-ethyl-2-(2-methylpropylsulfonyl)ethanamine
CID 104753963
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
3-cyclopentyl-1-cyclopropyl-N-propylpropan-1-amine
CID 63354880

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopentyl-2-(cyclopentylmethylsulfonyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopentyl-2-(cyclopentylmethylsulfonyl)ethyl]propan-1-amine (CID 104754263) is N-[1-cyclopentyl-2-(cyclopentylmethylsulfonyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopentyl-2-(cyclopentylmethylsulfonyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopentyl-2-(cyclopentylmethylsulfonyl)ethyl]propan-1-amine is CCCNC(CS(=O)(=O)CC1CCCC1)C1CCCC1.
What is the InChIKey of N-[1-cyclopentyl-2-(cyclopentylmethylsulfonyl)ethyl]propan-1-amine?
The InChIKey is LCDAURWZXNMNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2S/c1-2-11-17-16(15-9-5-6-10-15)13-20(18,19)12-14-7-3-4-8-14/h14-17H,2-13H2,1H3.
What are the key properties of N-[1-cyclopentyl-2-(cyclopentylmethylsulfonyl)ethyl]propan-1-amine?
N-[1-cyclopentyl-2-(cyclopentylmethylsulfonyl)ethyl]propan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopentyl-2-(cyclopentylmethylsulfonyl)ethyl]propan-1-amine is sourced from PubChem (CID 104754263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).