4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one

Name: 4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₂₇NOS — CID 79061299

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one

SMILESCCN(CC)C(CC)(CC)C(=O)CCc1ccsc1

InChIInChI=1S/C16H27NOS/c1-5-16(6-2,17(7-3)8-4)15(18)10-9-14-11-12-19-13-14/h11-13H,5-10H2,1-4H3

InChIKeyUSALOHWJMXSVEH-UHFFFAOYSA-N

MW281.46 g/mol

LogP4.15

Rot. Bonds9

About 4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one

4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one (PubChem CID 79061299) has the molecular formula C₁₆H₂₇NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is 4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one.

Molecular Properties

Compound Name	4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one
PubChem CID	79061299
Molecular Formula	C₁₆H₂₇NOS
Molecular Weight	281.46 g/mol
Exact Mass	281.18
IUPAC Name	4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one
SMILES	CCN(CC)C(CC)(CC)C(=O)CCc1ccsc1
InChI	InChI=1S/C16H27NOS/c1-5-16(6-2,17(7-3)8-4)15(18)10-9-14-11-12-19-13-14/h11-13H,5-10H2,1-4H3
InChIKey	USALOHWJMXSVEH-UHFFFAOYSA-N
XLogP	4.15
TPSA	20.31 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	9
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	281.46
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one?

The IUPAC name of 4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one (CID 79061299) is 4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one.

What is the SMILES notation for 4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one?

The canonical SMILES for 4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one is CCN(CC)C(CC)(CC)C(=O)CCc1ccsc1.

What is the InChIKey of 4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one?

The InChIKey is USALOHWJMXSVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-5-16(6-2,17(7-3)8-4)15(18)10-9-14-11-12-19-13-14/h11-13H,5-10H2,1-4H3.

What are the key properties of 4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one?

4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one has a molecular weight of 281.46 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one is sourced from PubChem (CID 79061299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 79061299 — identifiers, structure, computed properties (public domain)

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