3-(2,4-dimethylphenyl)sulfinyl-N-propan-2-ylpropan-1-amine

C14H23NOS — CID 64658901

IUPAC3-(2,4-dimethylphenyl)sulfinyl-N-propan-2-ylpropan-1-amine
SMILESCc1ccc(S(=O)CCCNC(C)C)c(C)c1
InChIInChI=1S/C14H23NOS/c1-11(2)15-8-5-9-17(16)14-7-6-12(3)10-13(14)4/h6-7,10-11,15H,5,8-9H2,1-4H3
InChIKeyUCOPIVXZCKPVFT-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.80
Rot. Bonds6

About 3-(2,4-dimethylphenyl)sulfinyl-N-propan-2-ylpropan-1-amine

3-(2,4-dimethylphenyl)sulfinyl-N-propan-2-ylpropan-1-amine (PubChem CID 64658901) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)sulfinyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)sulfinyl-N-propan-2-ylpropan-1-amine
PubChem CID64658901
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name3-(2,4-dimethylphenyl)sulfinyl-N-propan-2-ylpropan-1-amine
SMILESCc1ccc(S(=O)CCCNC(C)C)c(C)c1
InChIInChI=1S/C14H23NOS/c1-11(2)15-8-5-9-17(16)14-7-6-12(3)10-13(14)4/h6-7,10-11,15H,5,8-9H2,1-4H3
InChIKeyUCOPIVXZCKPVFT-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dimethylphenyl)sulfinyl-N-(2-methoxyethyl)propan-1-amine
CID 64657925
3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropan-1-amine
CID 64657510
3-(2,4-dimethylphenyl)sulfinyl-1-phenylpropan-1-one
CID 116694903
2-[2-(2,4-dimethylphenyl)sulfinylethyl]-1,3-dioxane
CID 66472570
2-[2-(2,4-dimethylphenyl)sulfinylethyl]cyclopentan-1-amine
CID 79582053
1-(2,5-dimethylphenyl)sulfinyl-3-(propan-2-ylamino)propan-2-ol
CID 113318020
3-methyl-4-(4-methylpentylsulfinyl)aniline
CID 83162539
1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinyl-N-ethylethanamine
CID 64660071
1-[2-(2,4-dimethylphenyl)sulfinylethyl]piperazine
CID 112741724
1-(2,4-dimethylphenyl)sulfinyl-N-ethyl-3-methoxypropan-2-amine
CID 107508721
3-methylsulfinyl-N-propan-2-ylpropan-1-amine
CID 64655620
2-(2,4-dimethylphenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 64637809

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)sulfinyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(2,4-dimethylphenyl)sulfinyl-N-propan-2-ylpropan-1-amine (CID 64658901) is 3-(2,4-dimethylphenyl)sulfinyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2,4-dimethylphenyl)sulfinyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(2,4-dimethylphenyl)sulfinyl-N-propan-2-ylpropan-1-amine is Cc1ccc(S(=O)CCCNC(C)C)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)sulfinyl-N-propan-2-ylpropan-1-amine?
The InChIKey is UCOPIVXZCKPVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-11(2)15-8-5-9-17(16)14-7-6-12(3)10-13(14)4/h6-7,10-11,15H,5,8-9H2,1-4H3.
What are the key properties of 3-(2,4-dimethylphenyl)sulfinyl-N-propan-2-ylpropan-1-amine?
3-(2,4-dimethylphenyl)sulfinyl-N-propan-2-ylpropan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)sulfinyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 64658901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).