N-ethyl-1-(3-methylphenyl)sulfinylpropan-2-amine

C12H19NOS — CID 64656239

IUPACN-ethyl-1-(3-methylphenyl)sulfinylpropan-2-amine
SMILESCCNC(C)CS(=O)c1cccc(C)c1
InChIInChI=1S/C12H19NOS/c1-4-13-11(3)9-15(14)12-7-5-6-10(2)8-12/h5-8,11,13H,4,9H2,1-3H3
InChIKeyIOOOQSLBUPWFLN-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.10
Rot. Bonds5

About N-ethyl-1-(3-methylphenyl)sulfinylpropan-2-amine

N-ethyl-1-(3-methylphenyl)sulfinylpropan-2-amine (PubChem CID 64656239) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-ethyl-1-(3-methylphenyl)sulfinylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylphenyl)sulfinylpropan-2-amine
PubChem CID64656239
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-ethyl-1-(3-methylphenyl)sulfinylpropan-2-amine
SMILESCCNC(C)CS(=O)c1cccc(C)c1
InChIInChI=1S/C12H19NOS/c1-4-13-11(3)9-15(14)12-7-5-6-10(2)8-12/h5-8,11,13H,4,9H2,1-3H3
InChIKeyIOOOQSLBUPWFLN-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

N-methyl-2-(3-methylphenyl)sulfinyl-1-phenylethanamine
CID 64657051
4-(3-methylphenyl)sulfinylbutan-2-amine
CID 64654610
N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine
CID 104754748
1-(2,5-dichlorophenyl)sulfinyl-N-ethylpropan-2-amine
CID 64660271
N-methyl-2-(3-methylphenyl)sulfinylethanamine
CID 64655016
1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine
CID 64658579
1-(cyclopropylamino)-3-(3-methylphenyl)sulfinylpropan-2-ol
CID 113318063
3-(ethylamino)-1-(3-methylphenyl)butan-1-one
CID 116566722
6-(3-methylphenyl)sulfinyl-N-propylhexan-3-amine
CID 106808022
1-(3-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64658378
1-methyl-3-[(S)-3-propan-2-yloxypropylsulfinyl]benzene
CID 99859224
N-ethyl-1-(2-methoxyphenyl)sulfinylpropan-2-amine
CID 64658239

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylphenyl)sulfinylpropan-2-amine?
The IUPAC name of N-ethyl-1-(3-methylphenyl)sulfinylpropan-2-amine (CID 64656239) is N-ethyl-1-(3-methylphenyl)sulfinylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-methylphenyl)sulfinylpropan-2-amine?
The canonical SMILES for N-ethyl-1-(3-methylphenyl)sulfinylpropan-2-amine is CCNC(C)CS(=O)c1cccc(C)c1.
What is the InChIKey of N-ethyl-1-(3-methylphenyl)sulfinylpropan-2-amine?
The InChIKey is IOOOQSLBUPWFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-4-13-11(3)9-15(14)12-7-5-6-10(2)8-12/h5-8,11,13H,4,9H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methylphenyl)sulfinylpropan-2-amine?
N-ethyl-1-(3-methylphenyl)sulfinylpropan-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-ethyl-1-(3-methylphenyl)sulfinylpropan-2-amine is sourced from PubChem (CID 64656239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).