N-methyl-2-methylsulfonyl-1-thiophen-2-ylethanamine

C8H13NO2S2 — CID 62473459

IUPACN-methyl-2-methylsulfonyl-1-thiophen-2-ylethanamine
SMILESCNC(CS(C)(=O)=O)c1cccs1
InChIInChI=1S/C8H13NO2S2/c1-9-7(6-13(2,10)11)8-4-3-5-12-8/h3-5,7,9H,6H2,1-2H3
InChIKeyQGXBNNCNWWFVAF-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.05
Rot. Bonds4

About N-methyl-2-methylsulfonyl-1-thiophen-2-ylethanamine

N-methyl-2-methylsulfonyl-1-thiophen-2-ylethanamine (PubChem CID 62473459) has the molecular formula C8H13NO2S2 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-2-methylsulfonyl-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-2-methylsulfonyl-1-thiophen-2-ylethanamine
PubChem CID62473459
Molecular FormulaC8H13NO2S2
Molecular Weight219.33 g/mol
Exact Mass219.04
IUPAC NameN-methyl-2-methylsulfonyl-1-thiophen-2-ylethanamine
SMILESCNC(CS(C)(=O)=O)c1cccs1
InChIInChI=1S/C8H13NO2S2/c1-9-7(6-13(2,10)11)8-4-3-5-12-8/h3-5,7,9H,6H2,1-2H3
InChIKeyQGXBNNCNWWFVAF-UHFFFAOYSA-N
XLogP1.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine
CID 63192027
N-(1,2-dithiophen-2-ylethyl)-1-methylsulfonylpropan-2-amine
CID 64629979
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-methylsulfonylethanamine
CID 79992082
methyl 3-(1-methylsulfonylpropan-2-ylamino)-3-thiophen-2-ylpropanoate
CID 64630549
N-methyl-2-propan-2-ylsulfanyl-1-thiophen-2-ylethanamine
CID 65131483
N-(1-thiophen-2-ylpropyl)ethanesulfonamide
CID 47372817
2-[2-(methylamino)-2-thiophen-2-ylethyl]aniline;dihydrochloride
CID 22414400
2-[1-(sulfamoylamino)propyl]thiophene
CID 112686147
N-methyl-2-pyridin-4-yl-1-thiophen-2-ylethanamine
CID 62552109
N-(dithiophen-2-ylmethyl)-3-methylsulfonylpropan-1-amine
CID 54905323
N-methyl-2-phenoxy-1-thiophen-2-ylethanamine
CID 62715336
N',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 79086941

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfonyl-1-thiophen-2-ylethanamine?
The IUPAC name of N-methyl-2-methylsulfonyl-1-thiophen-2-ylethanamine (CID 62473459) is N-methyl-2-methylsulfonyl-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-methyl-2-methylsulfonyl-1-thiophen-2-ylethanamine?
The canonical SMILES for N-methyl-2-methylsulfonyl-1-thiophen-2-ylethanamine is CNC(CS(C)(=O)=O)c1cccs1.
What is the InChIKey of N-methyl-2-methylsulfonyl-1-thiophen-2-ylethanamine?
The InChIKey is QGXBNNCNWWFVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S2/c1-9-7(6-13(2,10)11)8-4-3-5-12-8/h3-5,7,9H,6H2,1-2H3.
What are the key properties of N-methyl-2-methylsulfonyl-1-thiophen-2-ylethanamine?
N-methyl-2-methylsulfonyl-1-thiophen-2-ylethanamine has a molecular weight of 219.33 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfonyl-1-thiophen-2-ylethanamine is sourced from PubChem (CID 62473459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).