[3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone

C15H22N2O2S2 — CID 103506662

IUPAC[3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone
SMILESCOc1c(N2CCSC(C)(C)C2)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C15H22N2O2S2/c1-15(2)8-17(6-7-20-15)14-12(19-3)10(16)13(21-14)11(18)9-4-5-9/h9H,4-8,16H2,1-3H3
InChIKeyZLRUVPNBGWVJQR-UHFFFAOYSA-N
MW326.49 g/mol
LogP3.26
Rot. Bonds4

About [3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone

[3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone (PubChem CID 103506662) has the molecular formula C15H22N2O2S2 and a molecular weight of 326.49 g/mol. Its IUPAC name is [3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone
PubChem CID103506662
Molecular FormulaC15H22N2O2S2
Molecular Weight326.49 g/mol
Exact Mass326.11
IUPAC Name[3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone
SMILESCOc1c(N2CCSC(C)(C)C2)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C15H22N2O2S2/c1-15(2)8-17(6-7-20-15)14-12(19-3)10(16)13(21-14)11(18)9-4-5-9/h9H,4-8,16H2,1-3H3
InChIKeyZLRUVPNBGWVJQR-UHFFFAOYSA-N
XLogP3.26
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
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-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide
CID 103506664
[3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone
CID 103506756
3-amino-4-cyclopropyl-5-(2,2-dimethylthiomorpholin-4-yl)-N-methylthiophene-2-carboxamide
CID 103506647
5-acetyl-4-amino-2-(2,2-dimethylthiomorpholin-4-yl)thiophene-3-carbonitrile
CID 103506654
4-amino-2-(2,2-dimethylthiomorpholin-4-yl)-5-propanoylthiophene-3-carbonitrile
CID 103506670
1-[3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]ethanone
CID 103417342
(3-amino-4-propan-2-yloxy-5-pyrrolidin-1-ylthiophen-2-yl)-cyclopropylmethanone
CID 103418958
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103506593
1-[3-amino-5-(4-ethylpiperidin-1-yl)-4-methoxythiophen-2-yl]propan-1-one
CID 103418027
3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide
CID 103422789
1-[3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophen-2-yl]ethanone
CID 103422782
3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103525772

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone (CID 103506662) is [3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone is COc1c(N2CCSC(C)(C)C2)sc(C(=O)C2CC2)c1N.
What is the InChIKey of [3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone?
The InChIKey is ZLRUVPNBGWVJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S2/c1-15(2)8-17(6-7-20-15)14-12(19-3)10(16)13(21-14)11(18)9-4-5-9/h9H,4-8,16H2,1-3H3.
What are the key properties of [3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone has a molecular weight of 326.49 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103506662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).