N-[(2-methoxyphenyl)methyl]-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine

C16H21NOS2 — CID 112796417

IUPACN-[(2-methoxyphenyl)methyl]-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCOc1ccccc1CN(CCSC)Cc1cccs1
InChIInChI=1S/C16H21NOS2/c1-18-16-8-4-3-6-14(16)12-17(9-11-19-2)13-15-7-5-10-20-15/h3-8,10H,9,11-13H2,1-2H3
InChIKeyFIWWGMUMCBZWLY-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.12
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine

N-[(2-methoxyphenyl)methyl]-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 112796417) has the molecular formula C16H21NOS2 and a molecular weight of 307.48 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID112796417
Molecular FormulaC16H21NOS2
Molecular Weight307.48 g/mol
Exact Mass307.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCOc1ccccc1CN(CCSC)Cc1cccs1
InChIInChI=1S/C16H21NOS2/c1-18-16-8-4-3-6-14(16)12-17(9-11-19-2)13-15-7-5-10-20-15/h3-8,10H,9,11-13H2,1-2H3
InChIKeyFIWWGMUMCBZWLY-UHFFFAOYSA-N
XLogP4.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 129255543
2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-prop-2-enylacetamide
CID 31480086
3-[2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 34185346
1-(2-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine
CID 31480110
N-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 123818114
7-hydroxy-4-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-8-methylchromen-2-one
CID 9304335
1-[4-(difluoromethylsulfonyl)phenyl]-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)methanamine
CID 112803273
1-(2-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)methanamine
CID 26606766
2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 112795014
N-(2-iodophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 31480058
N-(3-acetamidophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 78788084
2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-pentan-2-ylacetamide
CID 46614580

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine (CID 112796417) is N-[(2-methoxyphenyl)methyl]-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine is COc1ccccc1CN(CCSC)Cc1cccs1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is FIWWGMUMCBZWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS2/c1-18-16-8-4-3-6-14(16)12-17(9-11-19-2)13-15-7-5-10-20-15/h3-8,10H,9,11-13H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine?
N-[(2-methoxyphenyl)methyl]-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 307.48 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 112796417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).