N-(2-ethyl-5-ethylsulfonyl-2-methylpentyl)cyclopropanamine

C13H27NO2S — CID 65096971

IUPACN-(2-ethyl-5-ethylsulfonyl-2-methylpentyl)cyclopropanamine
SMILESCCC(C)(CCCS(=O)(=O)CC)CNC1CC1
InChIInChI=1S/C13H27NO2S/c1-4-13(3,11-14-12-7-8-12)9-6-10-17(15,16)5-2/h12,14H,4-11H2,1-3H3
InChIKeyQMPZOWREAMHZMB-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.37
Rot. Bonds9

About N-(2-ethyl-5-ethylsulfonyl-2-methylpentyl)cyclopropanamine

N-(2-ethyl-5-ethylsulfonyl-2-methylpentyl)cyclopropanamine (PubChem CID 65096971) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is N-(2-ethyl-5-ethylsulfonyl-2-methylpentyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-ethyl-5-ethylsulfonyl-2-methylpentyl)cyclopropanamine
PubChem CID65096971
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC NameN-(2-ethyl-5-ethylsulfonyl-2-methylpentyl)cyclopropanamine
SMILESCCC(C)(CCCS(=O)(=O)CC)CNC1CC1
InChIInChI=1S/C13H27NO2S/c1-4-13(3,11-14-12-7-8-12)9-6-10-17(15,16)5-2/h12,14H,4-11H2,1-3H3
InChIKeyQMPZOWREAMHZMB-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

N-(2-ethyl-5-methoxy-2-methylpentyl)cyclopropanamine
CID 62717827
N-(2,2-diethyl-4-propylsulfonylbutyl)cyclopropanamine
CID 106729943
N-(2-ethyl-2-methylbutyl)piperidin-4-amine
CID 134219851
1-(cyclopropylamino)-2-methyl-5-methylsulfonylpentan-2-ol
CID 66039408
N-(2-ethyl-2-methyl-4-propan-2-yloxybutyl)cyclopropanamine
CID 62718147
2-cyclopropyl-5-ethylsulfonyl-N,2-dimethylpentan-1-amine
CID 83147780
N-(2-ethyl-2-methylsulfonylbutyl)cyclopropanamine
CID 62596757
N-(5-methoxy-2-methyl-2-propylpentyl)cyclopropanamine
CID 62723418
N-tert-butyl-2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine
CID 63195562
N-(6-methoxy-2-methyl-2-propylhexyl)cyclopropanamine
CID 104649334
1-ethylsulfonyl-4,4-dimethylpentane
CID 11148231
2-cyclopropyl-5-ethylsulfonylpentan-2-ol
CID 65147052

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5-ethylsulfonyl-2-methylpentyl)cyclopropanamine?
The IUPAC name of N-(2-ethyl-5-ethylsulfonyl-2-methylpentyl)cyclopropanamine (CID 65096971) is N-(2-ethyl-5-ethylsulfonyl-2-methylpentyl)cyclopropanamine.
What is the SMILES notation for N-(2-ethyl-5-ethylsulfonyl-2-methylpentyl)cyclopropanamine?
The canonical SMILES for N-(2-ethyl-5-ethylsulfonyl-2-methylpentyl)cyclopropanamine is CCC(C)(CCCS(=O)(=O)CC)CNC1CC1.
What is the InChIKey of N-(2-ethyl-5-ethylsulfonyl-2-methylpentyl)cyclopropanamine?
The InChIKey is QMPZOWREAMHZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-4-13(3,11-14-12-7-8-12)9-6-10-17(15,16)5-2/h12,14H,4-11H2,1-3H3.
What are the key properties of N-(2-ethyl-5-ethylsulfonyl-2-methylpentyl)cyclopropanamine?
N-(2-ethyl-5-ethylsulfonyl-2-methylpentyl)cyclopropanamine has a molecular weight of 261.43 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5-ethylsulfonyl-2-methylpentyl)cyclopropanamine is sourced from PubChem (CID 65096971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).