1-[(5-methylthiophen-2-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione

C16H24N2O2S — CID 64968489

IUPAC1-[(5-methylthiophen-2-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
SMILESCc1ccc(CN2C(=O)C(C(C)C)NC(=O)C2C(C)C)s1
InChIInChI=1S/C16H24N2O2S/c1-9(2)13-16(20)18(8-12-7-6-11(5)21-12)14(10(3)4)15(19)17-13/h6-7,9-10,13-14H,8H2,1-5H3,(H,17,19)
InChIKeyKTBNRZZTKDNRLN-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.56
Rot. Bonds4

About 1-[(5-methylthiophen-2-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione

1-[(5-methylthiophen-2-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione (PubChem CID 64968489) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[(5-methylthiophen-2-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-[(5-methylthiophen-2-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
PubChem CID64968489
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-[(5-methylthiophen-2-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
SMILESCc1ccc(CN2C(=O)C(C(C)C)NC(=O)C2C(C)C)s1
InChIInChI=1S/C16H24N2O2S/c1-9(2)13-16(20)18(8-12-7-6-11(5)21-12)14(10(3)4)15(19)17-13/h6-7,9-10,13-14H,8H2,1-5H3,(H,17,19)
InChIKeyKTBNRZZTKDNRLN-UHFFFAOYSA-N
XLogP2.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5-methylthiophen-2-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione with MolForge

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Related Compounds

(7R,9aR)-2-[(5-methylthiophen-2-yl)methyl]-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56854940
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64903182
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 106409291
1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64872808
1-[(2-methyltetrazol-5-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 107056430
1-[(4,5-dimethylthiophen-2-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 65244955
1-[(5-bromothiophen-2-yl)methyl]-7-methyl-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64882932
1-but-3-enyl-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 113466183
3,6-di(propan-2-yl)-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 64971148
3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]-6-methylpiperazine-2,5-dione
CID 64901564
(7R,9aR)-7-[(1S)-1-hydroxyethyl]-2-[(5-methylthiophen-2-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56856608
1-[2-(5-bromothiophen-2-yl)ethyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 106046035

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylthiophen-2-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione?
The IUPAC name of 1-[(5-methylthiophen-2-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione (CID 64968489) is 1-[(5-methylthiophen-2-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 1-[(5-methylthiophen-2-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 1-[(5-methylthiophen-2-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione is Cc1ccc(CN2C(=O)C(C(C)C)NC(=O)C2C(C)C)s1.
What is the InChIKey of 1-[(5-methylthiophen-2-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione?
The InChIKey is KTBNRZZTKDNRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-9(2)13-16(20)18(8-12-7-6-11(5)21-12)14(10(3)4)15(19)17-13/h6-7,9-10,13-14H,8H2,1-5H3,(H,17,19).
What are the key properties of 1-[(5-methylthiophen-2-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione?
1-[(5-methylthiophen-2-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione has a molecular weight of 308.45 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylthiophen-2-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 64968489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).