2-[cyclobutylmethyl(methyl)amino]-1-(5-ethylthiophen-2-yl)ethanone

C14H21NOS — CID 62860809

IUPAC2-[cyclobutylmethyl(methyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CN(C)CC2CCC2)s1
InChIInChI=1S/C14H21NOS/c1-3-12-7-8-14(17-12)13(16)10-15(2)9-11-5-4-6-11/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyLYBOYOOOGCGIIC-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.23
Rot. Bonds6

About 2-[cyclobutylmethyl(methyl)amino]-1-(5-ethylthiophen-2-yl)ethanone

2-[cyclobutylmethyl(methyl)amino]-1-(5-ethylthiophen-2-yl)ethanone (PubChem CID 62860809) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(methyl)amino]-1-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[cyclobutylmethyl(methyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
PubChem CID62860809
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-[cyclobutylmethyl(methyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CN(C)CC2CCC2)s1
InChIInChI=1S/C14H21NOS/c1-3-12-7-8-14(17-12)13(16)10-15(2)9-11-5-4-6-11/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyLYBOYOOOGCGIIC-UHFFFAOYSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-2-[cyclobutylmethyl(methyl)amino]ethanone
CID 62860457
1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone
CID 61446500
1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone
CID 60984356
2-[2-(dimethylamino)ethyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone
CID 55225801
1-(5-ethylthiophen-2-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 114950449
2-[methyl(oxan-4-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 55226241
3-cyclopropyl-1-(5-ethylthiophen-2-yl)propan-1-one
CID 114978214
1-(5-ethylthiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
CID 62051366
1-(5-ethylthiophen-2-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
CID 82742156
2-[ethyl(oxolan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
CID 61434836
1-(5-ethylthiophen-2-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79485722
2-[(2-bromophenyl)methyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone
CID 62036144

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylmethyl(methyl)amino]-1-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 2-[cyclobutylmethyl(methyl)amino]-1-(5-ethylthiophen-2-yl)ethanone (CID 62860809) is 2-[cyclobutylmethyl(methyl)amino]-1-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-[cyclobutylmethyl(methyl)amino]-1-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 2-[cyclobutylmethyl(methyl)amino]-1-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(C(=O)CN(C)CC2CCC2)s1.
What is the InChIKey of 2-[cyclobutylmethyl(methyl)amino]-1-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is LYBOYOOOGCGIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-3-12-7-8-14(17-12)13(16)10-15(2)9-11-5-4-6-11/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of 2-[cyclobutylmethyl(methyl)amino]-1-(5-ethylthiophen-2-yl)ethanone?
2-[cyclobutylmethyl(methyl)amino]-1-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 251.39 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl(methyl)amino]-1-(5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 62860809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).