[3-amino-5-(2-ethylmorpholin-4-yl)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone

C15H22N2O2S2 — CID 103508950

IUPAC[3-amino-5-(2-ethylmorpholin-4-yl)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
SMILESCCC1CN(c2sc(C(=O)C3CC3)c(N)c2SC)CCO1
InChIInChI=1S/C15H22N2O2S2/c1-3-10-8-17(6-7-19-10)15-14(20-2)11(16)13(21-15)12(18)9-4-5-9/h9-10H,3-8,16H2,1-2H3
InChIKeyAZKQNNSFSUTESQ-UHFFFAOYSA-N
MW326.49 g/mol
LogP3.26
Rot. Bonds5

About [3-amino-5-(2-ethylmorpholin-4-yl)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone

[3-amino-5-(2-ethylmorpholin-4-yl)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone (PubChem CID 103508950) has the molecular formula C15H22N2O2S2 and a molecular weight of 326.49 g/mol. Its IUPAC name is [3-amino-5-(2-ethylmorpholin-4-yl)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-(2-ethylmorpholin-4-yl)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
PubChem CID103508950
Molecular FormulaC15H22N2O2S2
Molecular Weight326.49 g/mol
Exact Mass326.11
IUPAC Name[3-amino-5-(2-ethylmorpholin-4-yl)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
SMILESCCC1CN(c2sc(C(=O)C3CC3)c(N)c2SC)CCO1
InChIInChI=1S/C15H22N2O2S2/c1-3-10-8-17(6-7-19-10)15-14(20-2)11(16)13(21-15)12(18)9-4-5-9/h9-10H,3-8,16H2,1-2H3
InChIKeyAZKQNNSFSUTESQ-UHFFFAOYSA-N
XLogP3.26
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103506755
[3-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103418357
1-[3-amino-5-(2-ethylmorpholin-4-yl)-4-methoxythiophen-2-yl]ethanone
CID 103508916
5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)thiophene-3-carbonitrile
CID 103508943
1-[3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103421956
1-[3-amino-5-(3-ethylpiperidin-1-yl)-4-methylsulfanylthiophen-2-yl]ethanone
CID 103509067
5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)-N-methylthiophene-3-carboxamide
CID 103508944
1-[3-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-4-methylsulfanylthiophen-2-yl]ethanone
CID 103422018
1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103505428
1-[3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103418501
ethyl 3-amino-4-methylsulfanyl-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103506287
ethyl 3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate
CID 103542466

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(2-ethylmorpholin-4-yl)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-(2-ethylmorpholin-4-yl)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone (CID 103508950) is [3-amino-5-(2-ethylmorpholin-4-yl)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-(2-ethylmorpholin-4-yl)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-(2-ethylmorpholin-4-yl)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone is CCC1CN(c2sc(C(=O)C3CC3)c(N)c2SC)CCO1.
What is the InChIKey of [3-amino-5-(2-ethylmorpholin-4-yl)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone?
The InChIKey is AZKQNNSFSUTESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S2/c1-3-10-8-17(6-7-19-10)15-14(20-2)11(16)13(21-15)12(18)9-4-5-9/h9-10H,3-8,16H2,1-2H3.
What are the key properties of [3-amino-5-(2-ethylmorpholin-4-yl)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-(2-ethylmorpholin-4-yl)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone has a molecular weight of 326.49 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(2-ethylmorpholin-4-yl)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103508950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).