N-methyl-2-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]ethanamine

C14H21NO2S — CID 117108065

IUPACN-methyl-2-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]ethanamine
SMILESCNCCc1ccc(C2(CS(C)(=O)=O)CC2)cc1
InChIInChI=1S/C14H21NO2S/c1-15-10-7-12-3-5-13(6-4-12)14(8-9-14)11-18(2,16)17/h3-6,15H,7-11H2,1-2H3
InChIKeyKTPHHKZNDZYQMX-UHFFFAOYSA-N
MW267.39 g/mol
LogP1.52
Rot. Bonds6

About N-methyl-2-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]ethanamine

N-methyl-2-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]ethanamine (PubChem CID 117108065) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-methyl-2-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]ethanamine
PubChem CID117108065
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-methyl-2-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]ethanamine
SMILESCNCCc1ccc(C2(CS(C)(=O)=O)CC2)cc1
InChIInChI=1S/C14H21NO2S/c1-15-10-7-12-3-5-13(6-4-12)14(8-9-14)11-18(2,16)17/h3-6,15H,7-11H2,1-2H3
InChIKeyKTPHHKZNDZYQMX-UHFFFAOYSA-N
XLogP1.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]ethanamine?
The IUPAC name of N-methyl-2-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]ethanamine (CID 117108065) is N-methyl-2-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]ethanamine?
The canonical SMILES for N-methyl-2-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]ethanamine is CNCCc1ccc(C2(CS(C)(=O)=O)CC2)cc1.
What is the InChIKey of N-methyl-2-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]ethanamine?
The InChIKey is KTPHHKZNDZYQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-15-10-7-12-3-5-13(6-4-12)14(8-9-14)11-18(2,16)17/h3-6,15H,7-11H2,1-2H3.
What are the key properties of N-methyl-2-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]ethanamine?
N-methyl-2-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]ethanamine has a molecular weight of 267.39 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]ethanamine is sourced from PubChem (CID 117108065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).