1-(aminomethyl)-N-(3-ethylsulfonylpropyl)-N-methylcyclopentan-1-amine

C12H26N2O2S — CID 65094131

IUPAC1-(aminomethyl)-N-(3-ethylsulfonylpropyl)-N-methylcyclopentan-1-amine
SMILESCCS(=O)(=O)CCCN(C)C1(CN)CCCC1
InChIInChI=1S/C12H26N2O2S/c1-3-17(15,16)10-6-9-14(2)12(11-13)7-4-5-8-12/h3-11,13H2,1-2H3
InChIKeyDPNGYBBOPNHEOY-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.01
Rot. Bonds7

About 1-(aminomethyl)-N-(3-ethylsulfonylpropyl)-N-methylcyclopentan-1-amine

1-(aminomethyl)-N-(3-ethylsulfonylpropyl)-N-methylcyclopentan-1-amine (PubChem CID 65094131) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-ethylsulfonylpropyl)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-ethylsulfonylpropyl)-N-methylcyclopentan-1-amine
PubChem CID65094131
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name1-(aminomethyl)-N-(3-ethylsulfonylpropyl)-N-methylcyclopentan-1-amine
SMILESCCS(=O)(=O)CCCN(C)C1(CN)CCCC1
InChIInChI=1S/C12H26N2O2S/c1-3-17(15,16)10-6-9-14(2)12(11-13)7-4-5-8-12/h3-11,13H2,1-2H3
InChIKeyDPNGYBBOPNHEOY-UHFFFAOYSA-N
XLogP1.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-(3-fluoropropyl)-N-methylcyclopentan-1-amine
CID 81106189
1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine
CID 63481336
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine
CID 62006729
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine
CID 62008347
1-(aminomethyl)-N-butyl-N-methylcyclopropan-1-amine
CID 106661013
1-(aminomethyl)-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine
CID 65176468
1-(aminomethyl)-N,4,4-trimethyl-N-(2-methylsulfonylethyl)cycloheptan-1-amine
CID 79849786
1-(aminomethyl)-N-(4-methoxybutyl)-N-methylcyclopentan-1-amine
CID 104647259
1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine
CID 62010539
1-(aminomethyl)-N-methyl-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine
CID 115513364
1-(aminomethyl)-N-ethyl-N-(3-ethylsulfonylpropyl)-3-methylcyclohexan-1-amine
CID 65093979
N-[1-(aminomethyl)cyclopentyl]-N-methylbutane-1-sulfonamide
CID 62008822

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-ethylsulfonylpropyl)-N-methylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(3-ethylsulfonylpropyl)-N-methylcyclopentan-1-amine (CID 65094131) is 1-(aminomethyl)-N-(3-ethylsulfonylpropyl)-N-methylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(3-ethylsulfonylpropyl)-N-methylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(3-ethylsulfonylpropyl)-N-methylcyclopentan-1-amine is CCS(=O)(=O)CCCN(C)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(3-ethylsulfonylpropyl)-N-methylcyclopentan-1-amine?
The InChIKey is DPNGYBBOPNHEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-3-17(15,16)10-6-9-14(2)12(11-13)7-4-5-8-12/h3-11,13H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(3-ethylsulfonylpropyl)-N-methylcyclopentan-1-amine?
1-(aminomethyl)-N-(3-ethylsulfonylpropyl)-N-methylcyclopentan-1-amine has a molecular weight of 262.42 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-ethylsulfonylpropyl)-N-methylcyclopentan-1-amine is sourced from PubChem (CID 65094131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).