2-[methyl(4-methylpentan-2-yl)amino]-1-(5-methylthiophen-2-yl)ethanone

C14H23NOS — CID 54999646

IUPAC2-[methyl(4-methylpentan-2-yl)amino]-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CN(C)C(C)CC(C)C)s1
InChIInChI=1S/C14H23NOS/c1-10(2)8-11(3)15(5)9-13(16)14-7-6-12(4)17-14/h6-7,10-11H,8-9H2,1-5H3
InChIKeyLCTDRPOFRRHAPC-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.61
Rot. Bonds6

About 2-[methyl(4-methylpentan-2-yl)amino]-1-(5-methylthiophen-2-yl)ethanone

2-[methyl(4-methylpentan-2-yl)amino]-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 54999646) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-[methyl(4-methylpentan-2-yl)amino]-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[methyl(4-methylpentan-2-yl)amino]-1-(5-methylthiophen-2-yl)ethanone
PubChem CID54999646
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-[methyl(4-methylpentan-2-yl)amino]-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CN(C)C(C)CC(C)C)s1
InChIInChI=1S/C14H23NOS/c1-10(2)8-11(3)15(5)9-13(16)14-7-6-12(4)17-14/h6-7,10-11H,8-9H2,1-5H3
InChIKeyLCTDRPOFRRHAPC-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethylthiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
CID 54999645
2-[1-methoxypropan-2-yl(methyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 61451983
1-(5-methylthiophen-2-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486407
2-[methyl(3-methylbutyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 61429349
5-methyl-N-[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 47160134
1-(3-bromothiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
CID 54999884
1-(5-bromothiophen-2-yl)-2-[methyl(pentan-2-yl)amino]ethanone
CID 43796956
1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43228210
1-(3-bromophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
CID 54999791
4-[2-[methyl(4-methylpentan-2-yl)amino]acetyl]benzonitrile
CID 54999693
4-amino-1-(5-methylthiophen-2-yl)pentan-1-one
CID 116571604
2-(3-methylbutylsulfanyl)-1-(5-methylthiophen-2-yl)ethanone
CID 107752853

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(4-methylpentan-2-yl)amino]-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-[methyl(4-methylpentan-2-yl)amino]-1-(5-methylthiophen-2-yl)ethanone (CID 54999646) is 2-[methyl(4-methylpentan-2-yl)amino]-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-[methyl(4-methylpentan-2-yl)amino]-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-[methyl(4-methylpentan-2-yl)amino]-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)CN(C)C(C)CC(C)C)s1.
What is the InChIKey of 2-[methyl(4-methylpentan-2-yl)amino]-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is LCTDRPOFRRHAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-10(2)8-11(3)15(5)9-13(16)14-7-6-12(4)17-14/h6-7,10-11H,8-9H2,1-5H3.
What are the key properties of 2-[methyl(4-methylpentan-2-yl)amino]-1-(5-methylthiophen-2-yl)ethanone?
2-[methyl(4-methylpentan-2-yl)amino]-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 253.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(4-methylpentan-2-yl)amino]-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 54999646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).