1-(4-chlorophenyl)-3-methylsulfonylpropan-1-amine

C10H14ClNO2S — CID 62607916

IUPAC1-(4-chlorophenyl)-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CCC(N)c1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO2S/c1-15(13,14)7-6-10(12)8-2-4-9(11)5-3-8/h2-5,10H,6-7,12H2,1H3
InChIKeyIXGORBOOIPBSGD-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.77
Rot. Bonds4

About 1-(4-chlorophenyl)-3-methylsulfonylpropan-1-amine

1-(4-chlorophenyl)-3-methylsulfonylpropan-1-amine (PubChem CID 62607916) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-methylsulfonylpropan-1-amine
PubChem CID62607916
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name1-(4-chlorophenyl)-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CCC(N)c1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO2S/c1-15(13,14)7-6-10(12)8-2-4-9(11)5-3-8/h2-5,10H,6-7,12H2,1H3
InChIKeyIXGORBOOIPBSGD-UHFFFAOYSA-N
XLogP1.77
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-methylsulfonylpropan-1-amine (CID 62607916) is 1-(4-chlorophenyl)-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-methylsulfonylpropan-1-amine is CS(=O)(=O)CCC(N)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-methylsulfonylpropan-1-amine?
The InChIKey is IXGORBOOIPBSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-15(13,14)7-6-10(12)8-2-4-9(11)5-3-8/h2-5,10H,6-7,12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-methylsulfonylpropan-1-amine?
1-(4-chlorophenyl)-3-methylsulfonylpropan-1-amine has a molecular weight of 247.75 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 62607916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).