4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one

C16H19NOS2 — CID 62035879

IUPAC4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCN(Cc1ccsc1)C1CC1)c1cccs1
InChIInChI=1S/C16H19NOS2/c18-15(16-4-2-9-20-16)3-1-8-17(14-5-6-14)11-13-7-10-19-12-13/h2,4,7,9-10,12,14H,1,3,5-6,8,11H2
InChIKeyZEEFVUKRBPXMNA-UHFFFAOYSA-N
MW305.47 g/mol
LogP4.44
Rot. Bonds8

About 4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one

4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one (PubChem CID 62035879) has the molecular formula C16H19NOS2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one
PubChem CID62035879
Molecular FormulaC16H19NOS2
Molecular Weight305.47 g/mol
Exact Mass305.09
IUPAC Name4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCN(Cc1ccsc1)C1CC1)c1cccs1
InChIInChI=1S/C16H19NOS2/c18-15(16-4-2-9-20-16)3-1-8-17(14-5-6-14)11-13-7-10-19-12-13/h2,4,7,9-10,12,14H,1,3,5-6,8,11H2
InChIKeyZEEFVUKRBPXMNA-UHFFFAOYSA-N
XLogP4.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 62030910
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737857
1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 62644705
5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid
CID 65255298
2-[butyl(cyclopropyl)amino]-1-thiophen-2-ylethanone
CID 61445444
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(2,6-difluorophenyl)ethanone
CID 62036847
5-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxypentanimidamide
CID 54965704
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one (CID 62035879) is 4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one is O=C(CCCN(Cc1ccsc1)C1CC1)c1cccs1.
What is the InChIKey of 4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one?
The InChIKey is ZEEFVUKRBPXMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS2/c18-15(16-4-2-9-20-16)3-1-8-17(14-5-6-14)11-13-7-10-19-12-13/h2,4,7,9-10,12,14H,1,3,5-6,8,11H2.
What are the key properties of 4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one?
4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one has a molecular weight of 305.47 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 62035879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).