cyclopentyl-(7-thiophen-2-yl-1,4-thiazepan-4-yl)methanone

C15H21NOS2 — CID 90632637

IUPACcyclopentyl-(7-thiophen-2-yl-1,4-thiazepan-4-yl)methanone
SMILESO=C(C1CCCC1)N1CCSC(c2cccs2)CC1
InChIInChI=1S/C15H21NOS2/c17-15(12-4-1-2-5-12)16-8-7-14(19-11-9-16)13-6-3-10-18-13/h3,6,10,12,14H,1-2,4-5,7-9,11H2
InChIKeyPGXOLXHDEWBMKA-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.94
Rot. Bonds2

About cyclopentyl-(7-thiophen-2-yl-1,4-thiazepan-4-yl)methanone

cyclopentyl-(7-thiophen-2-yl-1,4-thiazepan-4-yl)methanone (PubChem CID 90632637) has the molecular formula C15H21NOS2 and a molecular weight of 295.47 g/mol. Its IUPAC name is cyclopentyl-(7-thiophen-2-yl-1,4-thiazepan-4-yl)methanone.

Molecular Properties

Compound Namecyclopentyl-(7-thiophen-2-yl-1,4-thiazepan-4-yl)methanone
PubChem CID90632637
Molecular FormulaC15H21NOS2
Molecular Weight295.47 g/mol
Exact Mass295.11
IUPAC Namecyclopentyl-(7-thiophen-2-yl-1,4-thiazepan-4-yl)methanone
SMILESO=C(C1CCCC1)N1CCSC(c2cccs2)CC1
InChIInChI=1S/C15H21NOS2/c17-15(12-4-1-2-5-12)16-8-7-14(19-11-9-16)13-6-3-10-18-13/h3,6,10,12,14H,1-2,4-5,7-9,11H2
InChIKeyPGXOLXHDEWBMKA-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 24789469
N-ethyl-1-(2-thiophen-2-ylacetyl)azepane-4-carboxamide
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2-(Cyclopentylthio)-1-(4-(2-(thiophen-2-yl)cyclopropanecarbonyl)piperazin-1-yl)ethanone
CID 45587635
N-butyl-N-ethyl-2-(2-thienyl)acetamide
CID 2166904
N-[2-(thiophen-2-yl)ethyl]cyclohexanecarboxamide
CID 1508406
2-Thiopheneacetamide, N,N-dibutyl-
CID 532844
1-[7-(Thiophen-2-yl)-1,4-thiazepan-4-yl]ethan-1-one
CID 90632626
4-Cyclopropanecarbonyl-7-(thiophen-2-yl)-1,4-thiazepane
CID 90632636
1-Pyrrolidin-1-yl-7-thiophen-2-ylheptan-1-one
CID 155523085
N,N-dipropyl-2-(2-thienyl)acetamide
CID 670016
1-(Azepan-1-yl)-2-thiophen-2-ylethanone
CID 4529068
N-(2-ethylhexyl)-2-(2-thienyl)acetamide
CID 2916095

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(7-thiophen-2-yl-1,4-thiazepan-4-yl)methanone?
The IUPAC name of cyclopentyl-(7-thiophen-2-yl-1,4-thiazepan-4-yl)methanone (CID 90632637) is cyclopentyl-(7-thiophen-2-yl-1,4-thiazepan-4-yl)methanone.
What is the SMILES notation for cyclopentyl-(7-thiophen-2-yl-1,4-thiazepan-4-yl)methanone?
The canonical SMILES for cyclopentyl-(7-thiophen-2-yl-1,4-thiazepan-4-yl)methanone is O=C(C1CCCC1)N1CCSC(c2cccs2)CC1.
What is the InChIKey of cyclopentyl-(7-thiophen-2-yl-1,4-thiazepan-4-yl)methanone?
The InChIKey is PGXOLXHDEWBMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS2/c17-15(12-4-1-2-5-12)16-8-7-14(19-11-9-16)13-6-3-10-18-13/h3,6,10,12,14H,1-2,4-5,7-9,11H2.
What are the key properties of cyclopentyl-(7-thiophen-2-yl-1,4-thiazepan-4-yl)methanone?
cyclopentyl-(7-thiophen-2-yl-1,4-thiazepan-4-yl)methanone has a molecular weight of 295.47 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(7-thiophen-2-yl-1,4-thiazepan-4-yl)methanone is sourced from PubChem (CID 90632637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).