N-[2-(aminomethyl)cyclopentyl]-N-methyl-3-thiophen-2-ylprop-2-enamide

C14H20N2OS — CID 77125421

IUPACN-[2-(aminomethyl)cyclopentyl]-N-methyl-3-thiophen-2-ylprop-2-enamide
SMILESCN(C(=O)C=Cc1cccs1)C1CCCC1CN
InChIInChI=1S/C14H20N2OS/c1-16(13-6-2-4-11(13)10-15)14(17)8-7-12-5-3-9-18-12/h3,5,7-9,11,13H,2,4,6,10,15H2,1H3
InChIKeyVMAXKHKUUCTPMN-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.35
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-N-methyl-3-thiophen-2-ylprop-2-enamide

N-[2-(aminomethyl)cyclopentyl]-N-methyl-3-thiophen-2-ylprop-2-enamide (PubChem CID 77125421) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-N-methyl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-N-methyl-3-thiophen-2-ylprop-2-enamide
PubChem CID77125421
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-N-methyl-3-thiophen-2-ylprop-2-enamide
SMILESCN(C(=O)C=Cc1cccs1)C1CCCC1CN
InChIInChI=1S/C14H20N2OS/c1-16(13-6-2-4-11(13)10-15)14(17)8-7-12-5-3-9-18-12/h3,5,7-9,11,13H,2,4,6,10,15H2,1H3
InChIKeyVMAXKHKUUCTPMN-UHFFFAOYSA-N
XLogP2.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylprop-2-enamide
CID 43602226
(E)-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-thiophen-2-ylprop-2-enamide
CID 51238375
(dimethylamino)methyl (Z)-3-thiophen-2-ylprop-2-enoate
CID 122223996
(E)-1-cyclopropyl-3-thiophen-2-ylprop-2-en-1-one
CID 19558925
2-[cyclopropyl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]acetic acid
CID 54945948
(E)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 104974146
N-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide
CID 114610428
1-[2-(aminomethyl)cyclopentyl]-3-benzyl-1-methylurea
CID 107654169
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107015942
(E)-1-(2-ethylpiperidin-1-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 6048868
2-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 61414255
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-4-hydroxy-N-methylbenzamide
CID 107677154

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-methyl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-methyl-3-thiophen-2-ylprop-2-enamide (CID 77125421) is N-[2-(aminomethyl)cyclopentyl]-N-methyl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-N-methyl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-N-methyl-3-thiophen-2-ylprop-2-enamide is CN(C(=O)C=Cc1cccs1)C1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-N-methyl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is VMAXKHKUUCTPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-16(13-6-2-4-11(13)10-15)14(17)8-7-12-5-3-9-18-12/h3,5,7-9,11,13H,2,4,6,10,15H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-N-methyl-3-thiophen-2-ylprop-2-enamide?
N-[2-(aminomethyl)cyclopentyl]-N-methyl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 264.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-N-methyl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 77125421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).