2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]-3-methoxypropanamide;hydrochloride

C11H18Cl2N2O2S — CID 120989904

IUPAC2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]-3-methoxypropanamide;hydrochloride
SMILESCCC(NC(=O)C(N)COC)c1ccc(Cl)s1.Cl
InChIInChI=1S/C11H17ClN2O2S.ClH/c1-3-8(9-4-5-10(12)17-9)14-11(15)7(13)6-16-2;/h4-5,7-8H,3,6,13H2,1-2H3,(H,14,15);1H
InChIKeyAJJLDLCSZASTCW-UHFFFAOYSA-N
MW313.25 g/mol
LogP2.36
Rot. Bonds6

About 2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]-3-methoxypropanamide;hydrochloride

2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120989904) has the molecular formula C11H18Cl2N2O2S and a molecular weight of 313.25 g/mol. Its IUPAC name is 2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]-3-methoxypropanamide;hydrochloride
PubChem CID120989904
Molecular FormulaC11H18Cl2N2O2S
Molecular Weight313.25 g/mol
Exact Mass312.05
IUPAC Name2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]-3-methoxypropanamide;hydrochloride
SMILESCCC(NC(=O)C(N)COC)c1ccc(Cl)s1.Cl
InChIInChI=1S/C11H17ClN2O2S.ClH/c1-3-8(9-4-5-10(12)17-9)14-11(15)7(13)6-16-2;/h4-5,7-8H,3,6,13H2,1-2H3,(H,14,15);1H
InChIKeyAJJLDLCSZASTCW-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]propanamide
CID 119324709
N-[1-(5-chlorothiophen-2-yl)propyl]-2-(methylamino)acetamide;hydrochloride
CID 119785493
2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide
CID 81082683
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide
CID 81089217
(2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide
CID 93267274
2-amino-N-[1-(4-bromophenyl)propyl]-3-methoxypropanamide
CID 81083078
methyl (2S)-2-[[(2S)-2-(5-chlorothiophen-2-yl)propanoyl]amino]butanoate
CID 97008635
methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate
CID 12968026
methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 43146898
(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 104904813
2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983475
(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]-3-methoxypropanamide;hydrochloride (CID 120989904) is 2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]-3-methoxypropanamide;hydrochloride is CCC(NC(=O)C(N)COC)c1ccc(Cl)s1.Cl.
What is the InChIKey of 2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is AJJLDLCSZASTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S.ClH/c1-3-8(9-4-5-10(12)17-9)14-11(15)7(13)6-16-2;/h4-5,7-8H,3,6,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 313.25 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120989904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).