N-methyl-1-(2-methylphenyl)sulfinylbutan-2-amine

C12H19NOS — CID 64657190

IUPACN-methyl-1-(2-methylphenyl)sulfinylbutan-2-amine
SMILESCCC(CS(=O)c1ccccc1C)NC
InChIInChI=1S/C12H19NOS/c1-4-11(13-3)9-15(14)12-8-6-5-7-10(12)2/h5-8,11,13H,4,9H2,1-3H3
InChIKeyLGDGOCTYZHCNFV-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.10
Rot. Bonds5

About N-methyl-1-(2-methylphenyl)sulfinylbutan-2-amine

N-methyl-1-(2-methylphenyl)sulfinylbutan-2-amine (PubChem CID 64657190) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-methyl-1-(2-methylphenyl)sulfinylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylphenyl)sulfinylbutan-2-amine
PubChem CID64657190
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-methyl-1-(2-methylphenyl)sulfinylbutan-2-amine
SMILESCCC(CS(=O)c1ccccc1C)NC
InChIInChI=1S/C12H19NOS/c1-4-11(13-3)9-15(14)12-8-6-5-7-10(12)2/h5-8,11,13H,4,9H2,1-3H3
InChIKeyLGDGOCTYZHCNFV-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.10
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
N-methyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine
CID 64658220
1-(2,5-difluorophenyl)sulfinyl-N-methylbutan-2-amine
CID 64652274
1-methyl-2-[(2-methylphenyl)sulfinylmethylsulfinyl]benzene
CID 163864796
3,3-dimethyl-1-(2-methylphenyl)sulfinyl-N-propylbutan-2-amine
CID 64655569
1-(2,5-dimethylphenyl)sulfinyl-N-methylpentan-2-amine
CID 64657721
1-(3-bromophenyl)sulfinyl-N-methylbutan-2-amine
CID 64657409
N-methyl-1-(2-methylphenyl)butan-2-amine
CID 60820425
1-(2-fluorophenyl)sulfinyl-N-propylbutan-2-amine
CID 64657563
N-ethyl-1-(2-nitrophenyl)sulfinylbutan-2-amine
CID 64653135
1-(2-methylphenyl)sulfinylbutan-2-one
CID 64641154
ethane;1-methyl-2-methylsulfinylbenzene
CID 143887984

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylphenyl)sulfinylbutan-2-amine?
The IUPAC name of N-methyl-1-(2-methylphenyl)sulfinylbutan-2-amine (CID 64657190) is N-methyl-1-(2-methylphenyl)sulfinylbutan-2-amine.
What is the SMILES notation for N-methyl-1-(2-methylphenyl)sulfinylbutan-2-amine?
The canonical SMILES for N-methyl-1-(2-methylphenyl)sulfinylbutan-2-amine is CCC(CS(=O)c1ccccc1C)NC.
What is the InChIKey of N-methyl-1-(2-methylphenyl)sulfinylbutan-2-amine?
The InChIKey is LGDGOCTYZHCNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-4-11(13-3)9-15(14)12-8-6-5-7-10(12)2/h5-8,11,13H,4,9H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylphenyl)sulfinylbutan-2-amine?
N-methyl-1-(2-methylphenyl)sulfinylbutan-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylphenyl)sulfinylbutan-2-amine is sourced from PubChem (CID 64657190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).