1-(2-chloro-6-methylsulfonylphenyl)cyclopropan-1-amine

C10H12ClNO2S — CID 84802967

IUPAC1-(2-chloro-6-methylsulfonylphenyl)cyclopropan-1-amine
SMILESCS(=O)(=O)c1cccc(Cl)c1C1(N)CC1
InChIInChI=1S/C10H12ClNO2S/c1-15(13,14)8-4-2-3-7(11)9(8)10(12)5-6-10/h2-4H,5-6,12H2,1H3
InChIKeyKGHGTMAXGRDXEA-UHFFFAOYSA-N
MW245.73 g/mol
LogP1.69
Rot. Bonds2

About 1-(2-chloro-6-methylsulfonylphenyl)cyclopropan-1-amine

1-(2-chloro-6-methylsulfonylphenyl)cyclopropan-1-amine (PubChem CID 84802967) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is 1-(2-chloro-6-methylsulfonylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-6-methylsulfonylphenyl)cyclopropan-1-amine
PubChem CID84802967
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name1-(2-chloro-6-methylsulfonylphenyl)cyclopropan-1-amine
SMILESCS(=O)(=O)c1cccc(Cl)c1C1(N)CC1
InChIInChI=1S/C10H12ClNO2S/c1-15(13,14)8-4-2-3-7(11)9(8)10(12)5-6-10/h2-4H,5-6,12H2,1H3
InChIKeyKGHGTMAXGRDXEA-UHFFFAOYSA-N
XLogP1.69
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylsulfonylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(2-chloro-6-methylsulfonylphenyl)cyclopropan-1-amine (CID 84802967) is 1-(2-chloro-6-methylsulfonylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2-chloro-6-methylsulfonylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(2-chloro-6-methylsulfonylphenyl)cyclopropan-1-amine is CS(=O)(=O)c1cccc(Cl)c1C1(N)CC1.
What is the InChIKey of 1-(2-chloro-6-methylsulfonylphenyl)cyclopropan-1-amine?
The InChIKey is KGHGTMAXGRDXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c1-15(13,14)8-4-2-3-7(11)9(8)10(12)5-6-10/h2-4H,5-6,12H2,1H3.
What are the key properties of 1-(2-chloro-6-methylsulfonylphenyl)cyclopropan-1-amine?
1-(2-chloro-6-methylsulfonylphenyl)cyclopropan-1-amine has a molecular weight of 245.73 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylsulfonylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84802967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).