2-methyl-N-[[4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine

C14H23NO2S2 — CID 63806927

IUPAC2-methyl-N-[[4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccc(SCCS(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO2S2/c1-14(2,3)15-11-12-5-7-13(8-6-12)18-9-10-19(4,16)17/h5-8,15H,9-11H2,1-4H3
InChIKeyPRHAMDGOFFSXDP-UHFFFAOYSA-N
MW301.48 g/mol
LogP2.71
Rot. Bonds6

About 2-methyl-N-[[4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine

2-methyl-N-[[4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine (PubChem CID 63806927) has the molecular formula C14H23NO2S2 and a molecular weight of 301.48 g/mol. Its IUPAC name is 2-methyl-N-[[4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine
PubChem CID63806927
Molecular FormulaC14H23NO2S2
Molecular Weight301.48 g/mol
Exact Mass301.12
IUPAC Name2-methyl-N-[[4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccc(SCCS(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO2S2/c1-14(2,3)15-11-12-5-7-13(8-6-12)18-9-10-19(4,16)17/h5-8,15H,9-11H2,1-4H3
InChIKeyPRHAMDGOFFSXDP-UHFFFAOYSA-N
XLogP2.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[2-methyl-4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine
CID 63805699
2-methyl-N-[(4-propylsulfanylphenyl)methyl]propan-2-amine
CID 63804855
N-[[4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63805871
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
4-(2-methylsulfonylethylsulfanyl)benzoic acid
CID 60917284
1-[4-[(tert-butylamino)methyl]phenyl]sulfanyl-2-methylpropan-2-ol
CID 113384910
N-[[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine
CID 63805350
4-(2-methylsulfonylethylsulfanyl)benzonitrile
CID 55027974
1-[4-(2-methylsulfonylethylsulfanyl)phenyl]ethanone
CID 63658480
N-[[3-bromo-4-(3-methylsulfonylpropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63190499
3-[[4-[(tert-butylamino)methyl]phenyl]sulfanylmethyl]pentan-3-ol
CID 114497082
1-[4-[(tert-butylamino)methyl]phenyl]sulfanyl-2,3-dimethylbutan-2-ol
CID 114497084

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine (CID 63806927) is 2-methyl-N-[[4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine is CC(C)(C)NCc1ccc(SCCS(C)(=O)=O)cc1.
What is the InChIKey of 2-methyl-N-[[4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine?
The InChIKey is PRHAMDGOFFSXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S2/c1-14(2,3)15-11-12-5-7-13(8-6-12)18-9-10-19(4,16)17/h5-8,15H,9-11H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine?
2-methyl-N-[[4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine has a molecular weight of 301.48 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63806927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).