1-cyclopentyl-N-ethyl-3-methylsulfonylpropan-1-amine

C11H23NO2S — CID 62601414

IUPAC1-cyclopentyl-N-ethyl-3-methylsulfonylpropan-1-amine
SMILESCCNC(CCS(C)(=O)=O)C1CCCC1
InChIInChI=1S/C11H23NO2S/c1-3-12-11(8-9-15(2,13)14)10-6-4-5-7-10/h10-12H,3-9H2,1-2H3
InChIKeyIBMZEFIGFMMOCG-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.59
Rot. Bonds6

About 1-cyclopentyl-N-ethyl-3-methylsulfonylpropan-1-amine

1-cyclopentyl-N-ethyl-3-methylsulfonylpropan-1-amine (PubChem CID 62601414) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-cyclopentyl-N-ethyl-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-ethyl-3-methylsulfonylpropan-1-amine
PubChem CID62601414
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-cyclopentyl-N-ethyl-3-methylsulfonylpropan-1-amine
SMILESCCNC(CCS(C)(=O)=O)C1CCCC1
InChIInChI=1S/C11H23NO2S/c1-3-12-11(8-9-15(2,13)14)10-6-4-5-7-10/h10-12H,3-9H2,1-2H3
InChIKeyIBMZEFIGFMMOCG-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-ethyl-2-methylsulfonylethanamine
CID 115601066
N-ethyl-3-methylsulfonyl-1-(thiolan-3-yl)propan-1-amine
CID 114984200
N-ethyl-4-methylsulfonyl-1-(oxan-4-yl)butan-1-amine
CID 65334712
1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine
CID 80610576
1-cyclopentyl-N-ethyl-2-propylsulfonylethanamine
CID 104754033
1-(4-butylcyclohexyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 115820297
1-cyclopentyl-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 64565156
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
1-cyclopentyl-N-ethyl-2-(2-methylpropylsulfonyl)ethanamine
CID 104753963
1-cyclohexyl-N-ethyloctan-1-amine
CID 63413572
1-cyclooctyl-N-ethylheptan-1-amine
CID 80603132
1-cyclohexyl-N-ethyldodecan-1-amine
CID 114981553

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-ethyl-3-methylsulfonylpropan-1-amine?
The IUPAC name of 1-cyclopentyl-N-ethyl-3-methylsulfonylpropan-1-amine (CID 62601414) is 1-cyclopentyl-N-ethyl-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-cyclopentyl-N-ethyl-3-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-cyclopentyl-N-ethyl-3-methylsulfonylpropan-1-amine is CCNC(CCS(C)(=O)=O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-ethyl-3-methylsulfonylpropan-1-amine?
The InChIKey is IBMZEFIGFMMOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-12-11(8-9-15(2,13)14)10-6-4-5-7-10/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-ethyl-3-methylsulfonylpropan-1-amine?
1-cyclopentyl-N-ethyl-3-methylsulfonylpropan-1-amine has a molecular weight of 233.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-ethyl-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 62601414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).