1-(4-chloronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine

C14H16ClNO2S — CID 104518953

IUPAC1-(4-chloronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine
SMILESCC(C(N)c1ccc(Cl)c2ccccc12)S(C)(=O)=O
InChIInChI=1S/C14H16ClNO2S/c1-9(19(2,17)18)14(16)12-7-8-13(15)11-6-4-3-5-10(11)12/h3-9,14H,16H2,1-2H3
InChIKeyIZUKFYITHBIYNJ-UHFFFAOYSA-N
MW297.81 g/mol
LogP2.93
Rot. Bonds3

About 1-(4-chloronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine

1-(4-chloronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine (PubChem CID 104518953) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is 1-(4-chloronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chloronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine
PubChem CID104518953
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC Name1-(4-chloronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine
SMILESCC(C(N)c1ccc(Cl)c2ccccc12)S(C)(=O)=O
InChIInChI=1S/C14H16ClNO2S/c1-9(19(2,17)18)14(16)12-7-8-13(15)11-6-4-3-5-10(11)12/h3-9,14H,16H2,1-2H3
InChIKeyIZUKFYITHBIYNJ-UHFFFAOYSA-N
XLogP2.93
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518952
1-(1,2-dihydroacenaphthylen-5-yl)-2-methylsulfonylpropan-1-amine
CID 114939189
1-(4-chloronaphthalen-1-yl)-2-methylsulfonylethanol
CID 79597388
(1S)-1-(4-chloronaphthalen-1-yl)ethanol
CID 82758359
1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-amine
CID 79597241
(4-chloronaphthalen-1-yl)-phenylmethanamine
CID 79597515
1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine
CID 82360037
1-(3-chlorophenyl)-2-methylsulfonylpropan-1-amine
CID 102550992
N-[1-(4-chloronaphthalen-1-yl)-2-methylsulfonylethyl]propan-1-amine
CID 79591684
2-[1-(4-chloronaphthalen-1-yl)ethylamino]propanamide
CID 167984225
1-(4-chloronaphthalen-1-yl)-2,2-dimethylbutan-1-amine
CID 79597516
1-chloro-4-(1-chloro-3-methylbutyl)naphthalene
CID 79596838

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(4-chloronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine (CID 104518953) is 1-(4-chloronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(4-chloronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(4-chloronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine is CC(C(N)c1ccc(Cl)c2ccccc12)S(C)(=O)=O.
What is the InChIKey of 1-(4-chloronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine?
The InChIKey is IZUKFYITHBIYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S/c1-9(19(2,17)18)14(16)12-7-8-13(15)11-6-4-3-5-10(11)12/h3-9,14H,16H2,1-2H3.
What are the key properties of 1-(4-chloronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine?
1-(4-chloronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine has a molecular weight of 297.81 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 104518953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).