N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide

C12H16N2OS — CID 76948189

IUPACN-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)NCCNC1CC1
InChIInChI=1S/C12H16N2OS/c15-12(6-5-11-2-1-9-16-11)14-8-7-13-10-3-4-10/h1-2,5-6,9-10,13H,3-4,7-8H2,(H,14,15)
InChIKeyOYLUGSZFVXIUDK-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.63
Rot. Bonds6

About N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide

N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 76948189) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID76948189
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)NCCNC1CC1
InChIInChI=1S/C12H16N2OS/c15-12(6-5-11-2-1-9-16-11)14-8-7-13-10-3-4-10/h1-2,5-6,9-10,13H,3-4,7-8H2,(H,14,15)
InChIKeyOYLUGSZFVXIUDK-UHFFFAOYSA-N
XLogP1.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 17407233
(E)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide
CID 104971901
4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]butanoic acid
CID 24708663
(E)-N-cyclopentyl-3-thiophen-2-ylprop-2-enamide
CID 2164351
(E)-3-thiophen-2-yl-N-[2-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
CID 2316494
(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride
CID 131668133
(E)-N-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 82994511
3-thiophen-2-yl-N-[2-[4-(3-thiophen-2-ylprop-2-enoyl)piperazin-1-yl]ethyl]prop-2-enamide;hydrochloride
CID 73242683
N-(3-piperidin-4-yloxypropyl)-3-thiophen-2-ylprop-2-enamide
CID 77009043
(E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide
CID 887285
(E)-N-[2-(cyclopropylamino)ethyl]-3-(4-fluorophenyl)prop-2-enamide
CID 55100390
3-(4-chlorophenyl)-N-[2-(cyclopropylamino)ethyl]prop-2-enamide
CID 76948159

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide (CID 76948189) is N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide is O=C(C=Cc1cccs1)NCCNC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is OYLUGSZFVXIUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c15-12(6-5-11-2-1-9-16-11)14-8-7-13-10-3-4-10/h1-2,5-6,9-10,13H,3-4,7-8H2,(H,14,15).
What are the key properties of N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide?
N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 236.34 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 76948189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).