[3-amino-5-(4-ethylpiperazin-1-yl)thiophen-2-yl]-cyclopropylmethanone

C14H21N3OS — CID 103418719

IUPAC[3-amino-5-(4-ethylpiperazin-1-yl)thiophen-2-yl]-cyclopropylmethanone
SMILESCCN1CCN(c2cc(N)c(C(=O)C3CC3)s2)CC1
InChIInChI=1S/C14H21N3OS/c1-2-16-5-7-17(8-6-16)12-9-11(15)14(19-12)13(18)10-3-4-10/h9-10H,2-8,15H2,1H3
InChIKeyDTVVDXMPOLHNHH-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.06
Rot. Bonds4

About [3-amino-5-(4-ethylpiperazin-1-yl)thiophen-2-yl]-cyclopropylmethanone

[3-amino-5-(4-ethylpiperazin-1-yl)thiophen-2-yl]-cyclopropylmethanone (PubChem CID 103418719) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is [3-amino-5-(4-ethylpiperazin-1-yl)thiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-(4-ethylpiperazin-1-yl)thiophen-2-yl]-cyclopropylmethanone
PubChem CID103418719
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name[3-amino-5-(4-ethylpiperazin-1-yl)thiophen-2-yl]-cyclopropylmethanone
SMILESCCN1CCN(c2cc(N)c(C(=O)C3CC3)s2)CC1
InChIInChI=1S/C14H21N3OS/c1-2-16-5-7-17(8-6-16)12-9-11(15)14(19-12)13(18)10-3-4-10/h9-10H,2-8,15H2,1H3
InChIKeyDTVVDXMPOLHNHH-UHFFFAOYSA-N
XLogP2.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(4-ethylpiperazin-1-yl)thiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-(4-ethylpiperazin-1-yl)thiophen-2-yl]-cyclopropylmethanone (CID 103418719) is [3-amino-5-(4-ethylpiperazin-1-yl)thiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-(4-ethylpiperazin-1-yl)thiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-(4-ethylpiperazin-1-yl)thiophen-2-yl]-cyclopropylmethanone is CCN1CCN(c2cc(N)c(C(=O)C3CC3)s2)CC1.
What is the InChIKey of [3-amino-5-(4-ethylpiperazin-1-yl)thiophen-2-yl]-cyclopropylmethanone?
The InChIKey is DTVVDXMPOLHNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-2-16-5-7-17(8-6-16)12-9-11(15)14(19-12)13(18)10-3-4-10/h9-10H,2-8,15H2,1H3.
What are the key properties of [3-amino-5-(4-ethylpiperazin-1-yl)thiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-(4-ethylpiperazin-1-yl)thiophen-2-yl]-cyclopropylmethanone has a molecular weight of 279.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(4-ethylpiperazin-1-yl)thiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103418719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).