7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one

C15H24N2OS — CID 54871536

IUPAC7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one
SMILESNCCCCCCC(=O)N1CCCC1c1ccsc1
InChIInChI=1S/C15H24N2OS/c16-9-4-2-1-3-7-15(18)17-10-5-6-14(17)13-8-11-19-12-13/h8,11-12,14H,1-7,9-10,16H2
InChIKeyUAWQFVJSMDUSLB-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.32
Rot. Bonds7

About 7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one

7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one (PubChem CID 54871536) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one.

Molecular Properties

Compound Name7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one
PubChem CID54871536
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one
SMILESNCCCCCCC(=O)N1CCCC1c1ccsc1
InChIInChI=1S/C15H24N2OS/c16-9-4-2-1-3-7-15(18)17-10-5-6-14(17)13-8-11-19-12-13/h8,11-12,14H,1-7,9-10,16H2
InChIKeyUAWQFVJSMDUSLB-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate
CID 86792913
6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
CID 43579532
4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one
CID 51948019
6-amino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one
CID 60936893
7-amino-1-(2-phenylazepan-1-yl)heptan-1-one
CID 119737777
1-morpholin-4-yl-4-(2-thiophen-3-ylpyrrolidin-1-yl)butane-1,4-dione
CID 47036037
6-amino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one;hydrochloride
CID 166174195
6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 43579466
5,5-dimethyl-3-[4-oxo-4-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]butyl]imidazolidine-2,4-dione
CID 94117692
7-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]heptan-1-one;hydrochloride
CID 119810095
3-(aminomethyl)-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one
CID 81086710
N-[3-oxo-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]methanesulfonamide
CID 94117741

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one?
The IUPAC name of 7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one (CID 54871536) is 7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one.
What is the SMILES notation for 7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one?
The canonical SMILES for 7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one is NCCCCCCC(=O)N1CCCC1c1ccsc1.
What is the InChIKey of 7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one?
The InChIKey is UAWQFVJSMDUSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c16-9-4-2-1-3-7-15(18)17-10-5-6-14(17)13-8-11-19-12-13/h8,11-12,14H,1-7,9-10,16H2.
What are the key properties of 7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one?
7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one has a molecular weight of 280.44 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one is sourced from PubChem (CID 54871536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).