(3-aminothiophen-2-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone

C14H23N3OS — CID 70779311

IUPAC(3-aminothiophen-2-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2sccc2N)CCN1C(C)C
InChIInChI=1S/C14H23N3OS/c1-4-11-9-16(6-7-17(11)10(2)3)14(18)13-12(15)5-8-19-13/h5,8,10-11H,4,6-7,9,15H2,1-3H3
InChIKeyCHQKTNQMWPVNDM-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.28
Rot. Bonds3

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

(3-aminothiophen-2-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 70779311) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is (3-aminothiophen-2-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminothiophen-2-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID70779311
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name(3-aminothiophen-2-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2sccc2N)CCN1C(C)C
InChIInChI=1S/C14H23N3OS/c1-4-11-9-16(6-7-17(11)10(2)3)14(18)13-12(15)5-8-19-13/h5,8,10-11H,4,6-7,9,15H2,1-3H3
InChIKeyCHQKTNQMWPVNDM-UHFFFAOYSA-N
XLogP2.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-aminothiophen-2-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-aminothiophen-2-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone (CID 70779311) is (3-aminothiophen-2-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-aminothiophen-2-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-aminothiophen-2-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone is CCC1CN(C(=O)c2sccc2N)CCN1C(C)C.
What is the InChIKey of (3-aminothiophen-2-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is CHQKTNQMWPVNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-4-11-9-16(6-7-17(11)10(2)3)14(18)13-12(15)5-8-19-13/h5,8,10-11H,4,6-7,9,15H2,1-3H3.
What are the key properties of (3-aminothiophen-2-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone?
(3-aminothiophen-2-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 281.42 g/mol, XLogP of 2.28, 3 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-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 70779311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).