N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine

C18H30N2OS — CID 119114792

IUPACN-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCOc1cc(CNC2CC(C)(C)NC(C)(C)C2)ccc1SC
InChIInChI=1S/C18H30N2OS/c1-17(2)10-14(11-18(3,4)20-17)19-12-13-7-8-16(22-6)15(9-13)21-5/h7-9,14,19-20H,10-12H2,1-6H3
InChIKeyWTIGTSMMHOSXMO-UHFFFAOYSA-N
MW322.52 g/mol
LogP3.82
Rot. Bonds5

About N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine

N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 119114792) has the molecular formula C18H30N2OS and a molecular weight of 322.52 g/mol. Its IUPAC name is N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID119114792
Molecular FormulaC18H30N2OS
Molecular Weight322.52 g/mol
Exact Mass322.21
IUPAC NameN-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCOc1cc(CNC2CC(C)(C)NC(C)(C)C2)ccc1SC
InChIInChI=1S/C18H30N2OS/c1-17(2)10-14(11-18(3,4)20-17)19-12-13-7-8-16(22-6)15(9-13)21-5/h7-9,14,19-20H,10-12H2,1-6H3
InChIKeyWTIGTSMMHOSXMO-UHFFFAOYSA-N
XLogP3.82
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine
CID 115597475
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 60687154
4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzene-1,2-diol
CID 28674803
N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 119114782
N-[(4-methoxy-3-methylphenyl)methyl]-5,5-dimethylpyrrolidin-3-amine
CID 115145867
N-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine;oxalic acid
CID 17052859
1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 38205613
2,2,6,6-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 119114791
(1R,2S)-1-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463094
N-[(3-bromophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 28674695
N-(1H-indazol-6-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 119114803
4-(iodomethyl)-2-methoxy-1-methylsulfanylbenzene
CID 91881553

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine (CID 119114792) is N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine is COc1cc(CNC2CC(C)(C)NC(C)(C)C2)ccc1SC.
What is the InChIKey of N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is WTIGTSMMHOSXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2OS/c1-17(2)10-14(11-18(3,4)20-17)19-12-13-7-8-16(22-6)15(9-13)21-5/h7-9,14,19-20H,10-12H2,1-6H3.
What are the key properties of N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 322.52 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 119114792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).