N-[(1-ethylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine

C14H27NO2S — CID 113350840

IUPACN-[(1-ethylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCCC1(CNC2CCCC2S(C)(=O)=O)CCCC1
InChIInChI=1S/C14H27NO2S/c1-3-14(9-4-5-10-14)11-15-12-7-6-8-13(12)18(2,16)17/h12-13,15H,3-11H2,1-2H3
InChIKeyGKHDYKKKPYJYCO-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.51
Rot. Bonds5

About N-[(1-ethylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine

N-[(1-ethylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine (PubChem CID 113350840) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is N-[(1-ethylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine
PubChem CID113350840
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC NameN-[(1-ethylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCCC1(CNC2CCCC2S(C)(=O)=O)CCCC1
InChIInChI=1S/C14H27NO2S/c1-3-14(9-4-5-10-14)11-15-12-7-6-8-13(12)18(2,16)17/h12-13,15H,3-11H2,1-2H3
InChIKeyGKHDYKKKPYJYCO-UHFFFAOYSA-N
XLogP2.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 65045704
N-[(1-methylcyclopropyl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 103914483
N,N-dimethyl-1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-amine
CID 65047071
4-methyl-1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 65115654
4-[[(2-methylsulfonylcyclopentyl)amino]methyl]oxan-4-ol
CID 81131287
N-(cyclopropylmethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046998
N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine
CID 115405922
N-[(1-ethylcyclopropyl)methyl]-2-methylcyclohexan-1-amine
CID 115892730
cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 94586193
2-[(2-methylsulfonylcyclopentyl)amino]acetamide
CID 65046579
N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine
CID 65044398
N-(2-cyclopentylethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044497

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-[(1-ethylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine (CID 113350840) is N-[(1-ethylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-[(1-ethylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-[(1-ethylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine is CCC1(CNC2CCCC2S(C)(=O)=O)CCCC1.
What is the InChIKey of N-[(1-ethylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is GKHDYKKKPYJYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-3-14(9-4-5-10-14)11-15-12-7-6-8-13(12)18(2,16)17/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-[(1-ethylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine?
N-[(1-ethylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 113350840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).