N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]ethanamine

C14H29NO2S — CID 106735488

IUPACN-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H29NO2S/c1-5-15-11-13-8-6-7-12(13)9-10-18(16,17)14(2,3)4/h12-13,15H,5-11H2,1-4H3
InChIKeyXOYFUDBVGVDCCI-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.62
Rot. Bonds6

About N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]ethanamine

N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]ethanamine (PubChem CID 106735488) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]ethanamine
PubChem CID106735488
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC NameN-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H29NO2S/c1-5-15-11-13-8-6-7-12(13)9-10-18(16,17)14(2,3)4/h12-13,15H,5-11H2,1-4H3
InChIKeyXOYFUDBVGVDCCI-UHFFFAOYSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 106735505
N-[[2-(2-tert-butylsulfonylethyl)-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 106735642
N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]cyclopropanamine
CID 106735497
N-[[2-(3-ethylsulfonylpropyl)cyclopentyl]methyl]ethanamine
CID 81034450
N-[[2-(3-methylsulfonylpropyl)cyclopentyl]methyl]ethanamine
CID 81034800
N-[[2-(2-tert-butylsulfonylethyl)cyclobutyl]methyl]propan-2-amine
CID 106735451
N-[[2-(2-ethylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-2-amine
CID 106735499
N-[[2-(2-iodoethyl)cyclopentyl]methyl]ethanamine
CID 156566247
N-[[2-(2-propylsulfonylethyl)cyclopentyl]methyl]propan-1-amine
CID 106735490
N-[(2-decylcyclohexyl)methyl]ethanamine
CID 81027246
2-methyl-N-[[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]propan-2-amine
CID 106735498
N-[[4-ethyl-2-(2-ethylsulfonylethyl)cyclohexyl]methyl]ethanamine
CID 106735597

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]ethanamine (CID 106735488) is N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]ethanamine is CCNCC1CCCC1CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]ethanamine?
The InChIKey is XOYFUDBVGVDCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-5-15-11-13-8-6-7-12(13)9-10-18(16,17)14(2,3)4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]ethanamine?
N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]ethanamine has a molecular weight of 275.46 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 106735488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).