N-methyl-1-[1-(3-methylsulfonylpropyl)cyclopropyl]ethanamine

C10H21NO2S — CID 106797537

IUPACN-methyl-1-[1-(3-methylsulfonylpropyl)cyclopropyl]ethanamine
SMILESCNC(C)C1(CCCS(C)(=O)=O)CC1
InChIInChI=1S/C10H21NO2S/c1-9(11-2)10(6-7-10)5-4-8-14(3,12)13/h9,11H,4-8H2,1-3H3
InChIKeyJBCUSPVCGCXVNS-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.20
Rot. Bonds6

About N-methyl-1-[1-(3-methylsulfonylpropyl)cyclopropyl]ethanamine

N-methyl-1-[1-(3-methylsulfonylpropyl)cyclopropyl]ethanamine (PubChem CID 106797537) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-methyl-1-[1-(3-methylsulfonylpropyl)cyclopropyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(3-methylsulfonylpropyl)cyclopropyl]ethanamine
PubChem CID106797537
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-methyl-1-[1-(3-methylsulfonylpropyl)cyclopropyl]ethanamine
SMILESCNC(C)C1(CCCS(C)(=O)=O)CC1
InChIInChI=1S/C10H21NO2S/c1-9(11-2)10(6-7-10)5-4-8-14(3,12)13/h9,11H,4-8H2,1-3H3
InChIKeyJBCUSPVCGCXVNS-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3-methylsulfonylpropyl)cyclopropyl]ethanamine?
The IUPAC name of N-methyl-1-[1-(3-methylsulfonylpropyl)cyclopropyl]ethanamine (CID 106797537) is N-methyl-1-[1-(3-methylsulfonylpropyl)cyclopropyl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(3-methylsulfonylpropyl)cyclopropyl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(3-methylsulfonylpropyl)cyclopropyl]ethanamine is CNC(C)C1(CCCS(C)(=O)=O)CC1.
What is the InChIKey of N-methyl-1-[1-(3-methylsulfonylpropyl)cyclopropyl]ethanamine?
The InChIKey is JBCUSPVCGCXVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9(11-2)10(6-7-10)5-4-8-14(3,12)13/h9,11H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-[1-(3-methylsulfonylpropyl)cyclopropyl]ethanamine?
N-methyl-1-[1-(3-methylsulfonylpropyl)cyclopropyl]ethanamine has a molecular weight of 219.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3-methylsulfonylpropyl)cyclopropyl]ethanamine is sourced from PubChem (CID 106797537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).