2-[1-[(3,4-dichlorophenyl)sulfinylmethyl]cyclopropyl]ethanamine

C12H15Cl2NOS — CID 81332824

IUPAC2-[1-[(3,4-dichlorophenyl)sulfinylmethyl]cyclopropyl]ethanamine
SMILESNCCC1(CS(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H15Cl2NOS/c13-10-2-1-9(7-11(10)14)17(16)8-12(3-4-12)5-6-15/h1-2,7H,3-6,8,15H2
InChIKeyFFYYERFPDGKXTE-UHFFFAOYSA-N
MW292.23 g/mol
LogP3.23
Rot. Bonds5

About 2-[1-[(3,4-dichlorophenyl)sulfinylmethyl]cyclopropyl]ethanamine

2-[1-[(3,4-dichlorophenyl)sulfinylmethyl]cyclopropyl]ethanamine (PubChem CID 81332824) has the molecular formula C12H15Cl2NOS and a molecular weight of 292.23 g/mol. Its IUPAC name is 2-[1-[(3,4-dichlorophenyl)sulfinylmethyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-[(3,4-dichlorophenyl)sulfinylmethyl]cyclopropyl]ethanamine
PubChem CID81332824
Molecular FormulaC12H15Cl2NOS
Molecular Weight292.23 g/mol
Exact Mass291.03
IUPAC Name2-[1-[(3,4-dichlorophenyl)sulfinylmethyl]cyclopropyl]ethanamine
SMILESNCCC1(CS(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H15Cl2NOS/c13-10-2-1-9(7-11(10)14)17(16)8-12(3-4-12)5-6-15/h1-2,7H,3-6,8,15H2
InChIKeyFFYYERFPDGKXTE-UHFFFAOYSA-N
XLogP3.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,4-dichlorophenyl)sulfinylmethyl]cyclopropyl]ethanamine?
The IUPAC name of 2-[1-[(3,4-dichlorophenyl)sulfinylmethyl]cyclopropyl]ethanamine (CID 81332824) is 2-[1-[(3,4-dichlorophenyl)sulfinylmethyl]cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-[(3,4-dichlorophenyl)sulfinylmethyl]cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-[(3,4-dichlorophenyl)sulfinylmethyl]cyclopropyl]ethanamine is NCCC1(CS(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-[1-[(3,4-dichlorophenyl)sulfinylmethyl]cyclopropyl]ethanamine?
The InChIKey is FFYYERFPDGKXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NOS/c13-10-2-1-9(7-11(10)14)17(16)8-12(3-4-12)5-6-15/h1-2,7H,3-6,8,15H2.
What are the key properties of 2-[1-[(3,4-dichlorophenyl)sulfinylmethyl]cyclopropyl]ethanamine?
2-[1-[(3,4-dichlorophenyl)sulfinylmethyl]cyclopropyl]ethanamine has a molecular weight of 292.23 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,4-dichlorophenyl)sulfinylmethyl]cyclopropyl]ethanamine is sourced from PubChem (CID 81332824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).