1-cyclopentyl-N-ethyl-2-propylsulfonylethanamine

C12H25NO2S — CID 104754033

IUPAC1-cyclopentyl-N-ethyl-2-propylsulfonylethanamine
SMILESCCCS(=O)(=O)CC(NCC)C1CCCC1
InChIInChI=1S/C12H25NO2S/c1-3-9-16(14,15)10-12(13-4-2)11-7-5-6-8-11/h11-13H,3-10H2,1-2H3
InChIKeyQSBVBMGMZKKMSE-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.98
Rot. Bonds7

About 1-cyclopentyl-N-ethyl-2-propylsulfonylethanamine

1-cyclopentyl-N-ethyl-2-propylsulfonylethanamine (PubChem CID 104754033) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 1-cyclopentyl-N-ethyl-2-propylsulfonylethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-ethyl-2-propylsulfonylethanamine
PubChem CID104754033
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name1-cyclopentyl-N-ethyl-2-propylsulfonylethanamine
SMILESCCCS(=O)(=O)CC(NCC)C1CCCC1
InChIInChI=1S/C12H25NO2S/c1-3-9-16(14,15)10-12(13-4-2)11-7-5-6-8-11/h11-13H,3-10H2,1-2H3
InChIKeyQSBVBMGMZKKMSE-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclohexyl-2-propylsulfonylethyl)propan-1-amine
CID 104754032
1-cyclopentyl-N-ethyl-2-(2-methylpropylsulfonyl)ethanamine
CID 104753963
1-cyclopentyl-N-ethyl-2-methylsulfonylethanamine
CID 115601066
1-cyclopentyl-N-ethyl-3-methylsulfonylpropan-1-amine
CID 62601414
N-cyclopropyl-2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylacetamide
CID 114232785
2-cyclohexylsulfonyl-1-cyclopropyl-N-ethylethanamine
CID 64675598
N-[1-cyclopentyl-2-(cyclopentylmethylsulfonyl)ethyl]propan-1-amine
CID 104754263
1-cyclohexyl-N-ethyl-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 113448017
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
N-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine
CID 105027602
2-[2-cyclopentyl-2-(propylamino)ethyl]sulfonylacetamide
CID 114231996
N-[2-(cyclopentylmethylsulfonyl)-1-cyclopropylethyl]propan-1-amine
CID 64674734

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-ethyl-2-propylsulfonylethanamine?
The IUPAC name of 1-cyclopentyl-N-ethyl-2-propylsulfonylethanamine (CID 104754033) is 1-cyclopentyl-N-ethyl-2-propylsulfonylethanamine.
What is the SMILES notation for 1-cyclopentyl-N-ethyl-2-propylsulfonylethanamine?
The canonical SMILES for 1-cyclopentyl-N-ethyl-2-propylsulfonylethanamine is CCCS(=O)(=O)CC(NCC)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-ethyl-2-propylsulfonylethanamine?
The InChIKey is QSBVBMGMZKKMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-3-9-16(14,15)10-12(13-4-2)11-7-5-6-8-11/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-ethyl-2-propylsulfonylethanamine?
1-cyclopentyl-N-ethyl-2-propylsulfonylethanamine has a molecular weight of 247.40 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-ethyl-2-propylsulfonylethanamine is sourced from PubChem (CID 104754033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).