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

C13H19NO2S — CID 62030910

IUPAC4-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCN(CCO)C1CC1)c1cccs1
InChIInChI=1S/C13H19NO2S/c15-9-8-14(11-5-6-11)7-1-3-12(16)13-4-2-10-17-13/h2,4,10-11,15H,1,3,5-9H2
InChIKeyACPJQBBJAJFBCC-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.17
Rot. Bonds8

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

4-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one (PubChem CID 62030910) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one
PubChem CID62030910
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name4-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCN(CCO)C1CC1)c1cccs1
InChIInChI=1S/C13H19NO2S/c15-9-8-14(11-5-6-11)7-1-3-12(16)13-4-2-10-17-13/h2,4,10-11,15H,1,3,5-9H2
InChIKeyACPJQBBJAJFBCC-UHFFFAOYSA-N
XLogP2.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone
CID 62031099
2-[cyclobutyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone
CID 102864515
4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 62035879
4-[bis(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 60686397
2-[butyl(cyclopropyl)amino]-1-thiophen-2-ylethanone
CID 61445444
5-hydroxy-1-thiophen-2-ylpentan-1-one
CID 102168662
4-[cyclopentyl(2-hydroxyethyl)amino]-1-phenylbutan-1-one
CID 62034933
4-[cyclopropylmethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one
CID 54999752
4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448812
4-amino-1-thiophen-2-ylbutan-1-one
CID 55267003
4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one
CID 43792913
4-[3-(dimethylamino)pyrrolidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 63163843

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one (CID 62030910) is 4-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one is O=C(CCCN(CCO)C1CC1)c1cccs1.
What is the InChIKey of 4-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one?
The InChIKey is ACPJQBBJAJFBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c15-9-8-14(11-5-6-11)7-1-3-12(16)13-4-2-10-17-13/h2,4,10-11,15H,1,3,5-9H2.
What are the key properties of 4-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one?
4-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one has a molecular weight of 253.37 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 62030910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).