N-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide

C13H20N2OS — CID 64563589

IUPACN-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)C1CCCCCN1
InChIInChI=1S/C13H20N2OS/c1-15(10-11-6-5-9-17-11)13(16)12-7-3-2-4-8-14-12/h5-6,9,12,14H,2-4,7-8,10H2,1H3
InChIKeyUVWRMMAZUZCTAX-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.24
Rot. Bonds3

About N-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide

N-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide (PubChem CID 64563589) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide
PubChem CID64563589
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)C1CCCCCN1
InChIInChI=1S/C13H20N2OS/c1-15(10-11-6-5-9-17-11)13(16)12-7-3-2-4-8-14-12/h5-6,9,12,14H,2-4,7-8,10H2,1H3
InChIKeyUVWRMMAZUZCTAX-UHFFFAOYSA-N
XLogP2.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119267121
N,N-bis(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 60936813
N-cyclopropyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 54870571
N-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119324788
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 60938376
N,2-dimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79388890
2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43396486
N-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119267119
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide
CID 54872657
(2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61162812
(2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119859299
(2R)-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367542

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide?
The IUPAC name of N-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide (CID 64563589) is N-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide.
What is the SMILES notation for N-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide?
The canonical SMILES for N-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide is CN(Cc1cccs1)C(=O)C1CCCCCN1.
What is the InChIKey of N-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide?
The InChIKey is UVWRMMAZUZCTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-15(10-11-6-5-9-17-11)13(16)12-7-3-2-4-8-14-12/h5-6,9,12,14H,2-4,7-8,10H2,1H3.
What are the key properties of N-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide?
N-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide is sourced from PubChem (CID 64563589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).