N-ethyl-1-(4-methylphenyl)sulfinylbutan-2-amine

C13H21NOS — CID 64659057

IUPACN-ethyl-1-(4-methylphenyl)sulfinylbutan-2-amine
SMILESCCNC(CC)CS(=O)c1ccc(C)cc1
InChIInChI=1S/C13H21NOS/c1-4-12(14-5-2)10-16(15)13-8-6-11(3)7-9-13/h6-9,12,14H,4-5,10H2,1-3H3
InChIKeyFLYDFYOGNFUXRI-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.49
Rot. Bonds6

About N-ethyl-1-(4-methylphenyl)sulfinylbutan-2-amine

N-ethyl-1-(4-methylphenyl)sulfinylbutan-2-amine (PubChem CID 64659057) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-ethyl-1-(4-methylphenyl)sulfinylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylphenyl)sulfinylbutan-2-amine
PubChem CID64659057
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-ethyl-1-(4-methylphenyl)sulfinylbutan-2-amine
SMILESCCNC(CC)CS(=O)c1ccc(C)cc1
InChIInChI=1S/C13H21NOS/c1-4-12(14-5-2)10-16(15)13-8-6-11(3)7-9-13/h6-9,12,14H,4-5,10H2,1-3H3
InChIKeyFLYDFYOGNFUXRI-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylethanamine
CID 64658277
1-(4-chlorophenyl)sulfinyl-N-propylbutan-2-amine
CID 64660006
N-ethyl-1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanamine
CID 64659648
1-methoxy-N-methyl-3-(4-methylphenyl)sulfinylpropan-2-amine
CID 107508710
(2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 10932431
N-ethyl-2-(4-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanamine
CID 104754394
1-(2,2-dimethoxyethylsulfinyl)-4-methylbenzene
CID 66220895
1-(4-methylphenyl)sulfinyl-3-(propan-2-ylamino)propan-2-ol
CID 115476871
N-ethyl-1-(2-nitrophenyl)sulfinylbutan-2-amine
CID 64653135
1-(2,4-dimethylphenyl)sulfinyl-N-ethyl-3-methoxypropan-2-amine
CID 107508721
(2R,3S)-1-bromo-4-(4-methylphenyl)sulfinylbutane-2,3-diol
CID 100945060
(2R)-1,1,1-trifluoro-3-(4-methylphenyl)sulfinylpropan-2-ol
CID 102096195

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylphenyl)sulfinylbutan-2-amine?
The IUPAC name of N-ethyl-1-(4-methylphenyl)sulfinylbutan-2-amine (CID 64659057) is N-ethyl-1-(4-methylphenyl)sulfinylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-methylphenyl)sulfinylbutan-2-amine?
The canonical SMILES for N-ethyl-1-(4-methylphenyl)sulfinylbutan-2-amine is CCNC(CC)CS(=O)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-1-(4-methylphenyl)sulfinylbutan-2-amine?
The InChIKey is FLYDFYOGNFUXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-4-12(14-5-2)10-16(15)13-8-6-11(3)7-9-13/h6-9,12,14H,4-5,10H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methylphenyl)sulfinylbutan-2-amine?
N-ethyl-1-(4-methylphenyl)sulfinylbutan-2-amine has a molecular weight of 239.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylphenyl)sulfinylbutan-2-amine is sourced from PubChem (CID 64659057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).