N-(1-thiophen-2-ylethyl)azepane-2-carboxamide

C13H20N2OS — CID 64563977

IUPACN-(1-thiophen-2-ylethyl)azepane-2-carboxamide
SMILESCC(NC(=O)C1CCCCCN1)c1cccs1
InChIInChI=1S/C13H20N2OS/c1-10(12-7-5-9-17-12)15-13(16)11-6-3-2-4-8-14-11/h5,7,9-11,14H,2-4,6,8H2,1H3,(H,15,16)
InChIKeyLFGWVYKOTWMPGM-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.46
Rot. Bonds3

About N-(1-thiophen-2-ylethyl)azepane-2-carboxamide

N-(1-thiophen-2-ylethyl)azepane-2-carboxamide (PubChem CID 64563977) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(1-thiophen-2-ylethyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(1-thiophen-2-ylethyl)azepane-2-carboxamide
PubChem CID64563977
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-(1-thiophen-2-ylethyl)azepane-2-carboxamide
SMILESCC(NC(=O)C1CCCCCN1)c1cccs1
InChIInChI=1S/C13H20N2OS/c1-10(12-7-5-9-17-12)15-13(16)11-6-3-2-4-8-14-11/h5,7,9-11,14H,2-4,6,8H2,1H3,(H,15,16)
InChIKeyLFGWVYKOTWMPGM-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-thiophen-2-ylpropyl)piperidine-2-carboxamide
CID 54964031
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687
N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-2-carboxamide
CID 54953950
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-[1-(1,3-thiazol-2-yl)ethyl]azepane-2-carboxamide
CID 64570760
N-(1-thiophen-3-ylethyl)piperidine-2-carboxamide
CID 62842811
N-(1-thiophen-2-ylbutyl)pyrrolidine-2-carboxamide
CID 54962408
N-[(1R)-1-pyridin-4-ylethyl]piperidine-2-carboxamide
CID 81410506
N-[(1S)-1-(2-bromophenyl)ethyl]azepane-2-carboxamide
CID 81397881
(2R)-N-[1-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 103814463
(2S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-2-carboxamide
CID 93104490
(2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 61178552

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylethyl)azepane-2-carboxamide?
The IUPAC name of N-(1-thiophen-2-ylethyl)azepane-2-carboxamide (CID 64563977) is N-(1-thiophen-2-ylethyl)azepane-2-carboxamide.
What is the SMILES notation for N-(1-thiophen-2-ylethyl)azepane-2-carboxamide?
The canonical SMILES for N-(1-thiophen-2-ylethyl)azepane-2-carboxamide is CC(NC(=O)C1CCCCCN1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylethyl)azepane-2-carboxamide?
The InChIKey is LFGWVYKOTWMPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10(12-7-5-9-17-12)15-13(16)11-6-3-2-4-8-14-11/h5,7,9-11,14H,2-4,6,8H2,1H3,(H,15,16).
What are the key properties of N-(1-thiophen-2-ylethyl)azepane-2-carboxamide?
N-(1-thiophen-2-ylethyl)azepane-2-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylethyl)azepane-2-carboxamide is sourced from PubChem (CID 64563977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).