1-cyclopentyl-N-ethyl-2-(2-methylpropylsulfonyl)ethanamine

C13H27NO2S — CID 104753963

IUPAC1-cyclopentyl-N-ethyl-2-(2-methylpropylsulfonyl)ethanamine
SMILESCCNC(CS(=O)(=O)CC(C)C)C1CCCC1
InChIInChI=1S/C13H27NO2S/c1-4-14-13(12-7-5-6-8-12)10-17(15,16)9-11(2)3/h11-14H,4-10H2,1-3H3
InChIKeyRLSVREGBYPOOQM-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.23
Rot. Bonds7

About 1-cyclopentyl-N-ethyl-2-(2-methylpropylsulfonyl)ethanamine

1-cyclopentyl-N-ethyl-2-(2-methylpropylsulfonyl)ethanamine (PubChem CID 104753963) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-cyclopentyl-N-ethyl-2-(2-methylpropylsulfonyl)ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-ethyl-2-(2-methylpropylsulfonyl)ethanamine
PubChem CID104753963
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name1-cyclopentyl-N-ethyl-2-(2-methylpropylsulfonyl)ethanamine
SMILESCCNC(CS(=O)(=O)CC(C)C)C1CCCC1
InChIInChI=1S/C13H27NO2S/c1-4-14-13(12-7-5-6-8-12)10-17(15,16)9-11(2)3/h11-14H,4-10H2,1-3H3
InChIKeyRLSVREGBYPOOQM-UHFFFAOYSA-N
XLogP2.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-ethyl-2-propylsulfonylethanamine
CID 104754033
1-cyclopentyl-N-ethyl-2-methylsulfonylethanamine
CID 115601066
2-cyclohexylsulfonyl-1-cyclopropyl-N-ethylethanamine
CID 64675598
N-(1-cyclohexyl-2-propylsulfonylethyl)propan-1-amine
CID 104754032
1-cyclopentyl-N-ethyl-2-propan-2-yloxyethanamine
CID 79574827
1-cyclopentyl-N-ethyl-4,6-dimethylheptan-1-amine
CID 114200352
1-cyclopropyl-N-ethyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine
CID 107759055
1-cyclopentyl-N-ethyl-3-methylsulfonylpropan-1-amine
CID 62601414
N-cyclopropyl-2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylacetamide
CID 114232785
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
N-[1-cyclopentyl-2-(cyclopentylmethylsulfonyl)ethyl]propan-1-amine
CID 104754263
1-cyclohexyl-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447381

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-ethyl-2-(2-methylpropylsulfonyl)ethanamine?
The IUPAC name of 1-cyclopentyl-N-ethyl-2-(2-methylpropylsulfonyl)ethanamine (CID 104753963) is 1-cyclopentyl-N-ethyl-2-(2-methylpropylsulfonyl)ethanamine.
What is the SMILES notation for 1-cyclopentyl-N-ethyl-2-(2-methylpropylsulfonyl)ethanamine?
The canonical SMILES for 1-cyclopentyl-N-ethyl-2-(2-methylpropylsulfonyl)ethanamine is CCNC(CS(=O)(=O)CC(C)C)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-ethyl-2-(2-methylpropylsulfonyl)ethanamine?
The InChIKey is RLSVREGBYPOOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-4-14-13(12-7-5-6-8-12)10-17(15,16)9-11(2)3/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-cyclopentyl-N-ethyl-2-(2-methylpropylsulfonyl)ethanamine?
1-cyclopentyl-N-ethyl-2-(2-methylpropylsulfonyl)ethanamine has a molecular weight of 261.43 g/mol, XLogP of 2.23, 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-(2-methylpropylsulfonyl)ethanamine is sourced from PubChem (CID 104753963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).