N-(2-ethyl-2-methylsulfonylbutyl)cyclopropanamine

C10H21NO2S — CID 62596757

IUPACN-(2-ethyl-2-methylsulfonylbutyl)cyclopropanamine
SMILESCCC(CC)(CNC1CC1)S(C)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-4-10(5-2,14(3,12)13)8-11-9-6-7-9/h9,11H,4-8H2,1-3H3
InChIKeyALVZZQUSKINZGV-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.34
Rot. Bonds6

About N-(2-ethyl-2-methylsulfonylbutyl)cyclopropanamine

N-(2-ethyl-2-methylsulfonylbutyl)cyclopropanamine (PubChem CID 62596757) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-(2-ethyl-2-methylsulfonylbutyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-ethyl-2-methylsulfonylbutyl)cyclopropanamine
PubChem CID62596757
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-(2-ethyl-2-methylsulfonylbutyl)cyclopropanamine
SMILESCCC(CC)(CNC1CC1)S(C)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-4-10(5-2,14(3,12)13)8-11-9-6-7-9/h9,11H,4-8H2,1-3H3
InChIKeyALVZZQUSKINZGV-UHFFFAOYSA-N
XLogP1.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylsulfonylbutyl)cyclopropanamine?
The IUPAC name of N-(2-ethyl-2-methylsulfonylbutyl)cyclopropanamine (CID 62596757) is N-(2-ethyl-2-methylsulfonylbutyl)cyclopropanamine.
What is the SMILES notation for N-(2-ethyl-2-methylsulfonylbutyl)cyclopropanamine?
The canonical SMILES for N-(2-ethyl-2-methylsulfonylbutyl)cyclopropanamine is CCC(CC)(CNC1CC1)S(C)(=O)=O.
What is the InChIKey of N-(2-ethyl-2-methylsulfonylbutyl)cyclopropanamine?
The InChIKey is ALVZZQUSKINZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-4-10(5-2,14(3,12)13)8-11-9-6-7-9/h9,11H,4-8H2,1-3H3.
What are the key properties of N-(2-ethyl-2-methylsulfonylbutyl)cyclopropanamine?
N-(2-ethyl-2-methylsulfonylbutyl)cyclopropanamine has a molecular weight of 219.35 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylsulfonylbutyl)cyclopropanamine is sourced from PubChem (CID 62596757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).