N-[(5-chlorothiophen-2-yl)methyl]-2-(methylamino)-N-prop-2-enylacetamide;hydrochloride

C11H16Cl2N2OS — CID 119688617

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(methylamino)-N-prop-2-enylacetamide;hydrochloride
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)CNC.Cl
InChIInChI=1S/C11H15ClN2OS.ClH/c1-3-6-14(11(15)7-13-2)8-9-4-5-10(12)16-9;/h3-5,13H,1,6-8H2,2H3;1H
InChIKeyCWUDGKFTKIHTHJ-UHFFFAOYSA-N
MW295.24 g/mol
LogP2.56
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-2-(methylamino)-N-prop-2-enylacetamide;hydrochloride

N-[(5-chlorothiophen-2-yl)methyl]-2-(methylamino)-N-prop-2-enylacetamide;hydrochloride (PubChem CID 119688617) has the molecular formula C11H16Cl2N2OS and a molecular weight of 295.24 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(methylamino)-N-prop-2-enylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(methylamino)-N-prop-2-enylacetamide;hydrochloride
PubChem CID119688617
Molecular FormulaC11H16Cl2N2OS
Molecular Weight295.24 g/mol
Exact Mass294.04
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(methylamino)-N-prop-2-enylacetamide;hydrochloride
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)CNC.Cl
InChIInChI=1S/C11H15ClN2OS.ClH/c1-3-6-14(11(15)7-13-2)8-9-4-5-10(12)16-9;/h3-5,13H,1,6-8H2,2H3;1H
InChIKeyCWUDGKFTKIHTHJ-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-4-(methylamino)-N-prop-2-enylbutanamide
CID 54869490
3-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-3-oxopropanoic acid
CID 55049541
2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 63681418
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 60718665
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-N-prop-2-enylbutanamide
CID 81075391
N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethyl-N-prop-2-enylpropanamide
CID 60646090
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpropanamide;hydrochloride
CID 119270779
N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-prop-2-enylpentanamide
CID 79198711
5-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934239
N-[(5-chlorothiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide
CID 9108589
6-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylhexanamide
CID 54869456
N-[(5-chlorothiophen-2-yl)methyl]-2,2-difluoro-N-prop-2-enylacetamide
CID 103601269

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(methylamino)-N-prop-2-enylacetamide;hydrochloride?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(methylamino)-N-prop-2-enylacetamide;hydrochloride (CID 119688617) is N-[(5-chlorothiophen-2-yl)methyl]-2-(methylamino)-N-prop-2-enylacetamide;hydrochloride.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(methylamino)-N-prop-2-enylacetamide;hydrochloride?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(methylamino)-N-prop-2-enylacetamide;hydrochloride is C=CCN(Cc1ccc(Cl)s1)C(=O)CNC.Cl.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(methylamino)-N-prop-2-enylacetamide;hydrochloride?
The InChIKey is CWUDGKFTKIHTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS.ClH/c1-3-6-14(11(15)7-13-2)8-9-4-5-10(12)16-9;/h3-5,13H,1,6-8H2,2H3;1H.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(methylamino)-N-prop-2-enylacetamide;hydrochloride?
N-[(5-chlorothiophen-2-yl)methyl]-2-(methylamino)-N-prop-2-enylacetamide;hydrochloride has a molecular weight of 295.24 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(methylamino)-N-prop-2-enylacetamide;hydrochloride is sourced from PubChem (CID 119688617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).