2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide

C10H13ClN2OS — CID 60718665

IUPAC2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)CN
InChIInChI=1S/C10H13ClN2OS/c1-2-5-13(10(14)6-12)7-8-3-4-9(11)15-8/h2-4H,1,5-7,12H2
InChIKeyJDSIMCZIWQEOHC-UHFFFAOYSA-N
MW244.75 g/mol
LogP1.87
Rot. Bonds5

About 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide

2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide (PubChem CID 60718665) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
PubChem CID60718665
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)CN
InChIInChI=1S/C10H13ClN2OS/c1-2-5-13(10(14)6-12)7-8-3-4-9(11)15-8/h2-4H,1,5-7,12H2
InChIKeyJDSIMCZIWQEOHC-UHFFFAOYSA-N
XLogP1.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 51.87
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

6-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylhexanamide
CID 54869456
2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 63681418
3-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-3-oxopropanoic acid
CID 55049541
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-N-prop-2-enylbutanamide
CID 81075391
N-[(5-chlorothiophen-2-yl)methyl]-2-(methylamino)-N-prop-2-enylacetamide;hydrochloride
CID 119688617
N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-prop-2-enylpentanamide
CID 79198711
N-[(5-chlorothiophen-2-yl)methyl]-2,2-difluoro-N-prop-2-enylacetamide
CID 103601269
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]-4-(methylamino)-N-prop-2-enylbutanamide
CID 54869490
5-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934239
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylbutanamide
CID 54869480

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide?
The IUPAC name of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide (CID 60718665) is 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide is C=CCN(Cc1ccc(Cl)s1)C(=O)CN.
What is the InChIKey of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide?
The InChIKey is JDSIMCZIWQEOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-2-5-13(10(14)6-12)7-8-3-4-9(11)15-8/h2-4H,1,5-7,12H2.
What are the key properties of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide?
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide has a molecular weight of 244.75 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 60718665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).