azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone

C14H19NOS — CID 30944629

IUPACazepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone
SMILESO=C(N1CCCCCC1)C1(c2cccs2)CC1
InChIInChI=1S/C14H19NOS/c16-13(15-9-3-1-2-4-10-15)14(7-8-14)12-6-5-11-17-12/h5-6,11H,1-4,7-10H2
InChIKeyMDKAJFWRVULNHH-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.18
Rot. Bonds2

About azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone

azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone (PubChem CID 30944629) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone
PubChem CID30944629
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Nameazepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone
SMILESO=C(N1CCCCCC1)C1(c2cccs2)CC1
InChIInChI=1S/C14H19NOS/c16-13(15-9-3-1-2-4-10-15)14(7-8-14)12-6-5-11-17-12/h5-6,11H,1-4,7-10H2
InChIKeyMDKAJFWRVULNHH-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

morpholin-4-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944617
piperazin-1-yl-(1-thiophen-2-ylcyclohexyl)methanone
CID 119402420
1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxamide
CID 42435653
(4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42435504
(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42390617
(3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 121130907
(3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone
CID 119380014
furan-2-yl-[4-(1-thiophen-2-ylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 30944839
[4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
CID 119519335
(4-benzylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 29401178
[3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
CID 119595244
ethyl 1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxylate
CID 42435336

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone?
The IUPAC name of azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone (CID 30944629) is azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone.
What is the SMILES notation for azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone?
The canonical SMILES for azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone is O=C(N1CCCCCC1)C1(c2cccs2)CC1.
What is the InChIKey of azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone?
The InChIKey is MDKAJFWRVULNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c16-13(15-9-3-1-2-4-10-15)14(7-8-14)12-6-5-11-17-12/h5-6,11H,1-4,7-10H2.
What are the key properties of azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone?
azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone has a molecular weight of 249.38 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone is sourced from PubChem (CID 30944629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).