1-(cyclopentylamino)-4-thiophen-2-ylbutan-2-one

C13H19NOS — CID 116559062

IUPAC1-(cyclopentylamino)-4-thiophen-2-ylbutan-2-one
SMILESO=C(CCc1cccs1)CNC1CCCC1
InChIInChI=1S/C13H19NOS/c15-12(7-8-13-6-3-9-16-13)10-14-11-4-1-2-5-11/h3,6,9,11,14H,1-2,4-5,7-8,10H2
InChIKeyTWHCOUMESNFSBL-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.78
Rot. Bonds6

About 1-(cyclopentylamino)-4-thiophen-2-ylbutan-2-one

1-(cyclopentylamino)-4-thiophen-2-ylbutan-2-one (PubChem CID 116559062) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-(cyclopentylamino)-4-thiophen-2-ylbutan-2-one.

Molecular Properties

Compound Name1-(cyclopentylamino)-4-thiophen-2-ylbutan-2-one
PubChem CID116559062
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-(cyclopentylamino)-4-thiophen-2-ylbutan-2-one
SMILESO=C(CCc1cccs1)CNC1CCCC1
InChIInChI=1S/C13H19NOS/c15-12(7-8-13-6-3-9-16-13)10-14-11-4-1-2-5-11/h3,6,9,11,14H,1-2,4-5,7-8,10H2
InChIKeyTWHCOUMESNFSBL-UHFFFAOYSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentylamino)-3-thiophen-2-ylpropan-2-one
CID 116558991
1-cyclohexyl-4-thiophen-2-ylbutan-2-one
CID 114973276
2-(cyclopropylamino)-N-(2-thiophen-2-ylethyl)acetamide
CID 60671964
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea
CID 110822094
1-cyclobutyl-3-thiophen-2-ylpropan-1-one
CID 64982146
N-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide
CID 55064170
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
1-cyclopentyl-5-thiophen-2-ylpentan-2-one
CID 105092183
1-(prop-2-enylamino)-4-thiophen-2-ylbutan-2-one
CID 116589779
1-tert-butylsulfanyl-4-thiophen-2-ylbutan-2-one
CID 65133641
4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]cyclohexane-1-carboxylic acid
CID 60810022

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-4-thiophen-2-ylbutan-2-one?
The IUPAC name of 1-(cyclopentylamino)-4-thiophen-2-ylbutan-2-one (CID 116559062) is 1-(cyclopentylamino)-4-thiophen-2-ylbutan-2-one.
What is the SMILES notation for 1-(cyclopentylamino)-4-thiophen-2-ylbutan-2-one?
The canonical SMILES for 1-(cyclopentylamino)-4-thiophen-2-ylbutan-2-one is O=C(CCc1cccs1)CNC1CCCC1.
What is the InChIKey of 1-(cyclopentylamino)-4-thiophen-2-ylbutan-2-one?
The InChIKey is TWHCOUMESNFSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c15-12(7-8-13-6-3-9-16-13)10-14-11-4-1-2-5-11/h3,6,9,11,14H,1-2,4-5,7-8,10H2.
What are the key properties of 1-(cyclopentylamino)-4-thiophen-2-ylbutan-2-one?
1-(cyclopentylamino)-4-thiophen-2-ylbutan-2-one has a molecular weight of 237.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-4-thiophen-2-ylbutan-2-one is sourced from PubChem (CID 116559062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).