1-(cyclopropylamino)-5-thiophen-3-ylpentan-3-one

C12H17NOS — CID 116559357

IUPAC1-(cyclopropylamino)-5-thiophen-3-ylpentan-3-one
SMILESO=C(CCNC1CC1)CCc1ccsc1
InChIInChI=1S/C12H17NOS/c14-12(5-7-13-11-2-3-11)4-1-10-6-8-15-9-10/h6,8-9,11,13H,1-5,7H2
InChIKeyURNQBDYMUVYNGM-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.39
Rot. Bonds7

About 1-(cyclopropylamino)-5-thiophen-3-ylpentan-3-one

1-(cyclopropylamino)-5-thiophen-3-ylpentan-3-one (PubChem CID 116559357) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(cyclopropylamino)-5-thiophen-3-ylpentan-3-one.

Molecular Properties

Compound Name1-(cyclopropylamino)-5-thiophen-3-ylpentan-3-one
PubChem CID116559357
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-(cyclopropylamino)-5-thiophen-3-ylpentan-3-one
SMILESO=C(CCNC1CC1)CCc1ccsc1
InChIInChI=1S/C12H17NOS/c14-12(5-7-13-11-2-3-11)4-1-10-6-8-15-9-10/h6,8-9,11,13H,1-5,7H2
InChIKeyURNQBDYMUVYNGM-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 103543685
1-(thian-4-yl)-4-thiophen-3-ylbutan-2-one
CID 105099932
cis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid
CID 120676488
1-cyclobutyl-3-thiophen-3-ylpropan-1-one
CID 64981798
N-cyclopropyl-4-[[methyl(3-thiophen-3-ylpropanoyl)amino]methyl]benzamide
CID 38397536
1-(4-bromothiophen-2-yl)-4-(cyclopropylamino)butan-2-one
CID 116559386
N-piperidin-4-yl-3-thiophen-3-ylpropanamide;hydrochloride
CID 119385872
N-(2-methylpiperidin-4-yl)-3-thiophen-3-ylpropanamide
CID 120601265
cis-(1R,3S)-3-(2-thiophen-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319451
1-(1,1-dioxothian-2-yl)-3-thiophen-3-ylpropan-1-one
CID 114972231
N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-2-amine
CID 54953358

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-5-thiophen-3-ylpentan-3-one?
The IUPAC name of 1-(cyclopropylamino)-5-thiophen-3-ylpentan-3-one (CID 116559357) is 1-(cyclopropylamino)-5-thiophen-3-ylpentan-3-one.
What is the SMILES notation for 1-(cyclopropylamino)-5-thiophen-3-ylpentan-3-one?
The canonical SMILES for 1-(cyclopropylamino)-5-thiophen-3-ylpentan-3-one is O=C(CCNC1CC1)CCc1ccsc1.
What is the InChIKey of 1-(cyclopropylamino)-5-thiophen-3-ylpentan-3-one?
The InChIKey is URNQBDYMUVYNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c14-12(5-7-13-11-2-3-11)4-1-10-6-8-15-9-10/h6,8-9,11,13H,1-5,7H2.
What are the key properties of 1-(cyclopropylamino)-5-thiophen-3-ylpentan-3-one?
1-(cyclopropylamino)-5-thiophen-3-ylpentan-3-one has a molecular weight of 223.34 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-5-thiophen-3-ylpentan-3-one is sourced from PubChem (CID 116559357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).