1-[3-amino-4-cyclopropyl-5-(4-ethylazepan-1-yl)thiophen-2-yl]ethanone

C17H26N2OS — CID 103422591

IUPAC1-[3-amino-4-cyclopropyl-5-(4-ethylazepan-1-yl)thiophen-2-yl]ethanone
SMILESCCC1CCCN(c2sc(C(C)=O)c(N)c2C2CC2)CC1
InChIInChI=1S/C17H26N2OS/c1-3-12-5-4-9-19(10-8-12)17-14(13-6-7-13)15(18)16(21-17)11(2)20/h12-13H,3-10,18H2,1-2H3
InChIKeyGUYJLYKWKKEZQD-UHFFFAOYSA-N
MW306.48 g/mol
LogP4.43
Rot. Bonds4

About 1-[3-amino-4-cyclopropyl-5-(4-ethylazepan-1-yl)thiophen-2-yl]ethanone

1-[3-amino-4-cyclopropyl-5-(4-ethylazepan-1-yl)thiophen-2-yl]ethanone (PubChem CID 103422591) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is 1-[3-amino-4-cyclopropyl-5-(4-ethylazepan-1-yl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-4-cyclopropyl-5-(4-ethylazepan-1-yl)thiophen-2-yl]ethanone
PubChem CID103422591
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name1-[3-amino-4-cyclopropyl-5-(4-ethylazepan-1-yl)thiophen-2-yl]ethanone
SMILESCCC1CCCN(c2sc(C(C)=O)c(N)c2C2CC2)CC1
InChIInChI=1S/C17H26N2OS/c1-3-12-5-4-9-19(10-8-12)17-14(13-6-7-13)15(18)16(21-17)11(2)20/h12-13H,3-10,18H2,1-2H3
InChIKeyGUYJLYKWKKEZQD-UHFFFAOYSA-N
XLogP4.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-cyclopropyl-5-(4-ethylazepan-1-yl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-4-cyclopropyl-5-(4-ethylazepan-1-yl)thiophen-2-yl]ethanone (CID 103422591) is 1-[3-amino-4-cyclopropyl-5-(4-ethylazepan-1-yl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-4-cyclopropyl-5-(4-ethylazepan-1-yl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-4-cyclopropyl-5-(4-ethylazepan-1-yl)thiophen-2-yl]ethanone is CCC1CCCN(c2sc(C(C)=O)c(N)c2C2CC2)CC1.
What is the InChIKey of 1-[3-amino-4-cyclopropyl-5-(4-ethylazepan-1-yl)thiophen-2-yl]ethanone?
The InChIKey is GUYJLYKWKKEZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-3-12-5-4-9-19(10-8-12)17-14(13-6-7-13)15(18)16(21-17)11(2)20/h12-13H,3-10,18H2,1-2H3.
What are the key properties of 1-[3-amino-4-cyclopropyl-5-(4-ethylazepan-1-yl)thiophen-2-yl]ethanone?
1-[3-amino-4-cyclopropyl-5-(4-ethylazepan-1-yl)thiophen-2-yl]ethanone has a molecular weight of 306.48 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-cyclopropyl-5-(4-ethylazepan-1-yl)thiophen-2-yl]ethanone is sourced from PubChem (CID 103422591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).