2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone

C12H20N2OS — CID 112692203

IUPAC2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone
SMILESCSCC(C)N(C)CC(=O)c1cccn1C
InChIInChI=1S/C12H20N2OS/c1-10(9-16-4)14(3)8-12(15)11-6-5-7-13(11)2/h5-7,10H,8-9H2,1-4H3
InChIKeyCWKDYFQZPNTDBO-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.89
Rot. Bonds6

About 2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone

2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone (PubChem CID 112692203) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone
PubChem CID112692203
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone
SMILESCSCC(C)N(C)CC(=O)c1cccn1C
InChIInChI=1S/C12H20N2OS/c1-10(9-16-4)14(3)8-12(15)11-6-5-7-13(11)2/h5-7,10H,8-9H2,1-4H3
InChIKeyCWKDYFQZPNTDBO-UHFFFAOYSA-N
XLogP1.89
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Acetyl-1-methylpyrrole
CID 61240
1-Ethyl-2-acetyl pyrrole
CID 61988
1-Ethyl-2-pyrrolecarboxaldehyde
CID 579338
Oxisuran
CID 33770
1-Methylpyrrole-2-carboxamide
CID 2379477
3-(1-Methyl-1H-pyrrol-2-yl)-3-oxopropanenitrile
CID 2777170
1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-thiomorpholin-4-yl-ethanone
CID 11324053
1-(1-Methyl-1H-pyrrol-2-yl)-2-piperidin-1-yl-ethanone
CID 11333223
1-(1-Methyl-1H-pyrrol-2-yl)-2-piperidin-1-yl-propan-1-one
CID 11333500
(2R)-1-(1-methylpyrrol-2-yl)-2-phenyl-2-thiomorpholin-4-ylethanone
CID 11335598
1-(1-Methyl-1h-pyrrol-2-yl)-2-phenyl-2-(4-thiomorpholinyl) ethanone
CID 44398308
2,2,2-Trifluoro-1-(1-methyl-1H-pyrrol-2-yl)ethanone
CID 9118363

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone (CID 112692203) is 2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone is CSCC(C)N(C)CC(=O)c1cccn1C.
What is the InChIKey of 2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone?
The InChIKey is CWKDYFQZPNTDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-10(9-16-4)14(3)8-12(15)11-6-5-7-13(11)2/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone?
2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone has a molecular weight of 240.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 112692203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).