(3-aminothiophen-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone

C12H19N3OS — CID 63604493

IUPAC(3-aminothiophen-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2sccc2N)CCN1C
InChIInChI=1S/C12H19N3OS/c1-3-9-8-15(6-5-14(9)2)12(16)11-10(13)4-7-17-11/h4,7,9H,3,5-6,8,13H2,1-2H3
InChIKeyKAKVJEOECATZGZ-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.50
Rot. Bonds2

About (3-aminothiophen-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone

(3-aminothiophen-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone (PubChem CID 63604493) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is (3-aminothiophen-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminothiophen-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
PubChem CID63604493
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name(3-aminothiophen-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2sccc2N)CCN1C
InChIInChI=1S/C12H19N3OS/c1-3-9-8-15(6-5-14(9)2)12(16)11-10(13)4-7-17-11/h4,7,9H,3,5-6,8,13H2,1-2H3
InChIKeyKAKVJEOECATZGZ-UHFFFAOYSA-N
XLogP1.50
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63603575
(3-aminothiophen-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63166059
4-(3-aminothiophene-2-carbonyl)-N,N-diethylpiperazine-1-carboxamide
CID 61109752
(2-amino-3-methylphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63602925
(3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 61091260
(4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 104782923
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 66389368
(3-aminothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 61115182
(3-aminothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114407063
4-(3-aminothiophene-2-carbonyl)piperazine-1-sulfonamide
CID 61140085
(2-bromofuran-3-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 106853961
(2,4-dibromophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 107952420

Frequently Asked Questions

What is the IUPAC name of (3-aminothiophen-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The IUPAC name of (3-aminothiophen-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone (CID 63604493) is (3-aminothiophen-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-aminothiophen-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (3-aminothiophen-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone is CCC1CN(C(=O)c2sccc2N)CCN1C.
What is the InChIKey of (3-aminothiophen-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The InChIKey is KAKVJEOECATZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-9-8-15(6-5-14(9)2)12(16)11-10(13)4-7-17-11/h4,7,9H,3,5-6,8,13H2,1-2H3.
What are the key properties of (3-aminothiophen-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
(3-aminothiophen-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone has a molecular weight of 253.37 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminothiophen-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 63604493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).