N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide

C15H19N3O2S — CID 24588596

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide
SMILESN#Cc1c(NC(=O)CCN2CCOCC2)sc2c1CCC2
InChIInChI=1S/C15H19N3O2S/c16-10-12-11-2-1-3-13(11)21-15(12)17-14(19)4-5-18-6-8-20-9-7-18/h1-9H2,(H,17,19)
InChIKeyKTQINSVIQVOBRM-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.77
Rot. Bonds4

About N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide (PubChem CID 24588596) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide
PubChem CID24588596
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide
SMILESN#Cc1c(NC(=O)CCN2CCOCC2)sc2c1CCC2
InChIInChI=1S/C15H19N3O2S/c16-10-12-11-2-1-3-13(11)21-15(12)17-14(19)4-5-18-6-8-20-9-7-18/h1-9H2,(H,17,19)
InChIKeyKTQINSVIQVOBRM-UHFFFAOYSA-N
XLogP1.77
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-piperidin-1-ylacetamide
CID 705148
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 730298
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 8031105
N-(3-cyano-4,5-dimethyl-2-thienyl)-2-morpholinoacetamide
CID 2816626
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide
CID 3154707
2-(2-morpholinoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 675342
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(morpholin-4-yl)acetamide
CID 826287
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 727674
methyl 1-[2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 2569947
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-methylpiperidin-1-yl)acetamide
CID 2997581
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 17583897
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-morpholinopropanamide
CID 705921

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide (CID 24588596) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide is N#Cc1c(NC(=O)CCN2CCOCC2)sc2c1CCC2.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide?
The InChIKey is KTQINSVIQVOBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c16-10-12-11-2-1-3-13(11)21-15(12)17-14(19)4-5-18-6-8-20-9-7-18/h1-9H2,(H,17,19).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide has a molecular weight of 305.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 24588596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).