1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-thiophen-3-ylethanone

C16H24N2OS — CID 136527078

IUPAC1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCCN(C2CCCC2)CC1
InChIInChI=1S/C16H24N2OS/c19-16(12-14-6-11-20-13-14)18-8-3-7-17(9-10-18)15-4-1-2-5-15/h6,11,13,15H,1-5,7-10,12H2
InChIKeyMDEHNGNHYJSQDT-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.77
Rot. Bonds3

About 1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-thiophen-3-ylethanone

1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-thiophen-3-ylethanone (PubChem CID 136527078) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-thiophen-3-ylethanone
PubChem CID136527078
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCCN(C2CCCC2)CC1
InChIInChI=1S/C16H24N2OS/c19-16(12-14-6-11-20-13-14)18-8-3-7-17(9-10-18)15-4-1-2-5-15/h6,11,13,15H,1-5,7-10,12H2
InChIKeyMDEHNGNHYJSQDT-UHFFFAOYSA-N
XLogP2.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 71649381
1-(4-cyclopentylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110708885
1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone
CID 66202821
1-[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 91792162
1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121154068
1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 121200714
(3R)-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
CID 94164984
N'-hydroxy-1-(2-thiophen-3-ylacetyl)piperidine-3-carboximidamide
CID 77041855
4-(2-thiophen-3-ylacetyl)piperazine-1-sulfonamide
CID 61129944
1-[3-(4-chlorophenyl)azepan-1-yl]-2-thiophen-3-ylethanone
CID 121146683
1-[(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone
CID 164636350

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-thiophen-3-ylethanone (CID 136527078) is 1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCCN(C2CCCC2)CC1.
What is the InChIKey of 1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-thiophen-3-ylethanone?
The InChIKey is MDEHNGNHYJSQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c19-16(12-14-6-11-20-13-14)18-8-3-7-17(9-10-18)15-4-1-2-5-15/h6,11,13,15H,1-5,7-10,12H2.
What are the key properties of 1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-thiophen-3-ylethanone?
1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-thiophen-3-ylethanone has a molecular weight of 292.45 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 136527078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).