N,3,3-trimethyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine

C15H25NOS — CID 64658019

IUPACN,3,3-trimethyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine
SMILESCNC(CS(=O)Cc1ccccc1C)C(C)(C)C
InChIInChI=1S/C15H25NOS/c1-12-8-6-7-9-13(12)10-18(17)11-14(16-5)15(2,3)4/h6-9,14,16H,10-11H2,1-5H3
InChIKeyPVEHNBOMBWBCSR-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.88
Rot. Bonds5

About N,3,3-trimethyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine

N,3,3-trimethyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine (PubChem CID 64658019) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N,3,3-trimethyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine
PubChem CID64658019
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN,3,3-trimethyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine
SMILESCNC(CS(=O)Cc1ccccc1C)C(C)(C)C
InChIInChI=1S/C15H25NOS/c1-12-8-6-7-9-13(12)10-18(17)11-14(16-5)15(2,3)4/h6-9,14,16H,10-11H2,1-5H3
InChIKeyPVEHNBOMBWBCSR-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3,3-dimethyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine
CID 64659390
N-methyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine
CID 64658220
N-methyl-2-[(2-methylphenyl)methylsulfinyl]-1-phenylethanamine
CID 64659975
N-methyl-1-[(2-methylphenyl)methylsulfinyl]pentan-2-amine
CID 64659977
N,3,3-trimethyl-1-[(3-methylphenyl)methylsulfinyl]butan-2-amine
CID 64659770
1-[(2-methylphenyl)methylsulfinyl]propan-2-amine
CID 64659194
2-amino-3-[(2-methylphenyl)methylsulfinyl]propanoic acid
CID 65475968
2,2-dimethyl-3-[(2-methylphenyl)methylsulfinyl]propanoic acid
CID 79620791
2-acetamido-3-[(2-methylphenyl)methylsulfinyl]propanoic acid
CID 64583534
2-[(2-methylphenyl)methylsulfinyl]ethanamine
CID 62769461
1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanamine
CID 64659193
N,3-dimethyl-1-(2-methylphenyl)-3-phenylbutan-2-amine
CID 63084673

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine?
The IUPAC name of N,3,3-trimethyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine (CID 64658019) is N,3,3-trimethyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine is CNC(CS(=O)Cc1ccccc1C)C(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine?
The InChIKey is PVEHNBOMBWBCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-12-8-6-7-9-13(12)10-18(17)11-14(16-5)15(2,3)4/h6-9,14,16H,10-11H2,1-5H3.
What are the key properties of N,3,3-trimethyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine?
N,3,3-trimethyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine is sourced from PubChem (CID 64658019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).