(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpropanamide;hydrochloride

C11H16Cl2N2OS — CID 119270779

IUPAC(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpropanamide;hydrochloride
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)N.Cl
InChIInChI=1S/C11H15ClN2OS.ClH/c1-3-6-14(11(15)8(2)13)7-9-4-5-10(12)16-9;/h3-5,8H,1,6-7,13H2,2H3;1H/t8-;/m1./s1
InChIKeyIUFSTBSHWTXDIY-DDWIOCJRSA-N
MW295.24 g/mol
LogP2.69
Rot. Bonds5

About (2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpropanamide;hydrochloride

(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpropanamide;hydrochloride (PubChem CID 119270779) has the molecular formula C11H16Cl2N2OS and a molecular weight of 295.24 g/mol. Its IUPAC name is (2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpropanamide;hydrochloride
PubChem CID119270779
Molecular FormulaC11H16Cl2N2OS
Molecular Weight295.24 g/mol
Exact Mass294.04
IUPAC Name(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpropanamide;hydrochloride
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)N.Cl
InChIInChI=1S/C11H15ClN2OS.ClH/c1-3-6-14(11(15)8(2)13)7-9-4-5-10(12)16-9;/h3-5,8H,1,6-7,13H2,2H3;1H/t8-;/m1./s1
InChIKeyIUFSTBSHWTXDIY-DDWIOCJRSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 52.69
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

2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylbutanamide
CID 54869480
N-[(5-chlorothiophen-2-yl)methyl]-2,2-difluoro-N-prop-2-enylacetamide
CID 103601269
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-N-prop-2-enylbutanamide
CID 81075391
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 60718665
N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethyl-N-prop-2-enylpropanamide
CID 60646090
2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 63681418
N-[(5-chlorothiophen-2-yl)methyl]-2-(methylamino)-N-prop-2-enylacetamide;hydrochloride
CID 119688617
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111
2-(1-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 66390052
3-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-3-oxopropanoic acid
CID 55049541
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethyl-N-prop-2-enylpropanamide
CID 55246582

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpropanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpropanamide;hydrochloride (CID 119270779) is (2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpropanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpropanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpropanamide;hydrochloride is C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)N.Cl.
What is the InChIKey of (2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpropanamide;hydrochloride?
The InChIKey is IUFSTBSHWTXDIY-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H15ClN2OS.ClH/c1-3-6-14(11(15)8(2)13)7-9-4-5-10(12)16-9;/h3-5,8H,1,6-7,13H2,2H3;1H/t8-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpropanamide;hydrochloride?
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpropanamide;hydrochloride has a molecular weight of 295.24 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpropanamide;hydrochloride is sourced from PubChem (CID 119270779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).