N-[[1-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]ethanamine

C13H27NO2S — CID 106729871

IUPACN-[[1-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]ethanamine
SMILESCCNCC1(CCS(=O)(=O)C(C)C)CCCC1
InChIInChI=1S/C13H27NO2S/c1-4-14-11-13(7-5-6-8-13)9-10-17(15,16)12(2)3/h12,14H,4-11H2,1-3H3
InChIKeyYLSPJBWYJFKEBX-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.37
Rot. Bonds7

About N-[[1-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]ethanamine

N-[[1-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]ethanamine (PubChem CID 106729871) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is N-[[1-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]ethanamine
PubChem CID106729871
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC NameN-[[1-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]ethanamine
SMILESCCNCC1(CCS(=O)(=O)C(C)C)CCCC1
InChIInChI=1S/C13H27NO2S/c1-4-14-11-13(7-5-6-8-13)9-10-17(15,16)12(2)3/h12,14H,4-11H2,1-3H3
InChIKeyYLSPJBWYJFKEBX-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]propan-2-amine
CID 106730047
2-methoxy-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]ethanamine
CID 106730051
N-[(1-ethylcyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine
CID 114125061
N-[[1-(3-ethylsulfonylpropyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 65097230
N-[(1-ethylcyclobutyl)methyl]ethanamine
CID 65194759
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,3-dimethylbutan-2-amine
CID 55051780
[3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine
CID 106734053
1-(2-propan-2-ylsulfonylethyl)cyclobutane-1-carboxylic acid
CID 106727828
N-[[1-(3-methylbutyl)cyclopropyl]methyl]ethanamine
CID 66026435
N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]propan-2-amine
CID 106729852
1-[1-(2-ethylsulfonylethyl)cyclohexyl]-N-methylmethanamine
CID 62724580
1-(2-propan-2-ylsulfonylethyl)cycloheptane-1-carboxylic acid
CID 106734099

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]ethanamine (CID 106729871) is N-[[1-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]ethanamine is CCNCC1(CCS(=O)(=O)C(C)C)CCCC1.
What is the InChIKey of N-[[1-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]ethanamine?
The InChIKey is YLSPJBWYJFKEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-4-14-11-13(7-5-6-8-13)9-10-17(15,16)12(2)3/h12,14H,4-11H2,1-3H3.
What are the key properties of N-[[1-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]ethanamine?
N-[[1-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]ethanamine has a molecular weight of 261.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 106729871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).