1-(2,5-dimethylphenyl)sulfinyl-N-methylpentan-2-amine

C14H23NOS — CID 64657721

IUPAC1-(2,5-dimethylphenyl)sulfinyl-N-methylpentan-2-amine
SMILESCCCC(CS(=O)c1cc(C)ccc1C)NC
InChIInChI=1S/C14H23NOS/c1-5-6-13(15-4)10-17(16)14-9-11(2)7-8-12(14)3/h7-9,13,15H,5-6,10H2,1-4H3
InChIKeyMLZYDUHSFXUTQC-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.80
Rot. Bonds6

About 1-(2,5-dimethylphenyl)sulfinyl-N-methylpentan-2-amine

1-(2,5-dimethylphenyl)sulfinyl-N-methylpentan-2-amine (PubChem CID 64657721) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfinyl-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfinyl-N-methylpentan-2-amine
PubChem CID64657721
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-(2,5-dimethylphenyl)sulfinyl-N-methylpentan-2-amine
SMILESCCCC(CS(=O)c1cc(C)ccc1C)NC
InChIInChI=1S/C14H23NOS/c1-5-6-13(15-4)10-17(16)14-9-11(2)7-8-12(14)3/h7-9,13,15H,5-6,10H2,1-4H3
InChIKeyMLZYDUHSFXUTQC-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

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Related Compounds

1-(2,5-dimethylphenyl)sulfinyl-N-methylbutan-2-amine
CID 64659088
1-(2,5-dimethylphenyl)sulfinyl-N-propylpropan-2-amine
CID 64659676
1-cyclohexyl-2-(2,5-dimethylphenyl)sulfinyl-N-methylethanamine
CID 104754430
N-methyl-1-(2-methylphenyl)sulfinylbutan-2-amine
CID 64657190
1-(2,5-dimethylphenyl)sulfinyl-3-(propan-2-ylamino)propan-2-ol
CID 113318020
4-methyl-3-(2-methylpentylsulfinyl)aniline
CID 81191193
N-methyl-1-[3-(trifluoromethyl)phenyl]sulfinylpentan-2-amine
CID 115478128
1-(2,5-difluorophenyl)sulfinyl-N-methylbutan-2-amine
CID 64652274
1-(2,4-dimethylphenyl)sulfinyl-N-ethyl-3-methoxypropan-2-amine
CID 107508721
1-(2,5-dimethylphenyl)-N-ethylpentan-2-amine
CID 61482090
zinc bis(2,5-dimethylbenzenesulfinate)
CID 159031464
sodium 2,5-dimethylbenzenesulfinate
CID 3310489

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfinyl-N-methylpentan-2-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfinyl-N-methylpentan-2-amine (CID 64657721) is 1-(2,5-dimethylphenyl)sulfinyl-N-methylpentan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfinyl-N-methylpentan-2-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfinyl-N-methylpentan-2-amine is CCCC(CS(=O)c1cc(C)ccc1C)NC.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfinyl-N-methylpentan-2-amine?
The InChIKey is MLZYDUHSFXUTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-5-6-13(15-4)10-17(16)14-9-11(2)7-8-12(14)3/h7-9,13,15H,5-6,10H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)sulfinyl-N-methylpentan-2-amine?
1-(2,5-dimethylphenyl)sulfinyl-N-methylpentan-2-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 1-(2,5-dimethylphenyl)sulfinyl-N-methylpentan-2-amine is sourced from PubChem (CID 64657721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).