N-[[2-(3-methylsulfonylpropyl)cyclopentyl]methyl]ethanamine

C12H25NO2S — CID 81034800

IUPACN-[[2-(3-methylsulfonylpropyl)cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1CCCS(C)(=O)=O
InChIInChI=1S/C12H25NO2S/c1-3-13-10-12-7-4-6-11(12)8-5-9-16(2,14)15/h11-13H,3-10H2,1-2H3
InChIKeyOVBFMSFAHZNRKD-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.84
Rot. Bonds7

About N-[[2-(3-methylsulfonylpropyl)cyclopentyl]methyl]ethanamine

N-[[2-(3-methylsulfonylpropyl)cyclopentyl]methyl]ethanamine (PubChem CID 81034800) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-[[2-(3-methylsulfonylpropyl)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-methylsulfonylpropyl)cyclopentyl]methyl]ethanamine
PubChem CID81034800
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-[[2-(3-methylsulfonylpropyl)cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1CCCS(C)(=O)=O
InChIInChI=1S/C12H25NO2S/c1-3-13-10-12-7-4-6-11(12)8-5-9-16(2,14)15/h11-13H,3-10H2,1-2H3
InChIKeyOVBFMSFAHZNRKD-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-ethylsulfonylpropyl)cyclopentyl]methyl]ethanamine
CID 81034450
2-methyl-N-[[2-(3-methylsulfonylpropyl)cyclohexyl]methyl]propan-1-amine
CID 81024941
N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]ethanamine
CID 106735488
N-[(2-decylcyclohexyl)methyl]ethanamine
CID 81027246
N-[[2-(2-iodoethyl)cyclopentyl]methyl]ethanamine
CID 156566247
2-(3-methylsulfonylpropyl)cycloheptan-1-ol
CID 63196152
2-(3-methylsulfonylpropyl)cyclohexan-1-amine
CID 63191344
1-chloro-2-(3-methylsulfonylpropyl)cycloheptane
CID 63195635
N-[[2-(3-ethylsulfonylpropyl)cyclohexyl]methyl]cyclopropanamine
CID 81024849
1-[4,4-dimethyl-2-(3-methylsulfonylpropyl)cyclohexyl]-N-methylmethanamine
CID 81030474
N-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 63191177
N-[[2-(2-propylsulfonylethyl)cyclopentyl]methyl]propan-1-amine
CID 106735490

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylsulfonylpropyl)cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-methylsulfonylpropyl)cyclopentyl]methyl]ethanamine (CID 81034800) is N-[[2-(3-methylsulfonylpropyl)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-methylsulfonylpropyl)cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-methylsulfonylpropyl)cyclopentyl]methyl]ethanamine is CCNCC1CCCC1CCCS(C)(=O)=O.
What is the InChIKey of N-[[2-(3-methylsulfonylpropyl)cyclopentyl]methyl]ethanamine?
The InChIKey is OVBFMSFAHZNRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-3-13-10-12-7-4-6-11(12)8-5-9-16(2,14)15/h11-13H,3-10H2,1-2H3.
What are the key properties of N-[[2-(3-methylsulfonylpropyl)cyclopentyl]methyl]ethanamine?
N-[[2-(3-methylsulfonylpropyl)cyclopentyl]methyl]ethanamine has a molecular weight of 247.40 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylsulfonylpropyl)cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 81034800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).