3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride

C9H14Cl2N2OS — CID 119287389

IUPAC3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride
SMILESCC(NC(=O)CCN)c1ccc(Cl)s1.Cl
InChIInChI=1S/C9H13ClN2OS.ClH/c1-6(12-9(13)4-5-11)7-2-3-8(10)14-7;/h2-3,6H,4-5,11H2,1H3,(H,12,13);1H
InChIKeyLUAZZCNTDGIXOA-UHFFFAOYSA-N
MW269.20 g/mol
LogP2.35
Rot. Bonds4

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

3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride (PubChem CID 119287389) has the molecular formula C9H14Cl2N2OS and a molecular weight of 269.20 g/mol. Its IUPAC name is 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride
PubChem CID119287389
Molecular FormulaC9H14Cl2N2OS
Molecular Weight269.20 g/mol
Exact Mass268.02
IUPAC Name3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride
SMILESCC(NC(=O)CCN)c1ccc(Cl)s1.Cl
InChIInChI=1S/C9H13ClN2OS.ClH/c1-6(12-9(13)4-5-11)7-2-3-8(10)14-7;/h2-3,6H,4-5,11H2,1H3,(H,12,13);1H
InChIKeyLUAZZCNTDGIXOA-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.20
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutanamide
CID 63324335
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 51726837
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 51726838
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604497
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 51938197
2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 107903709
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide
CID 65264508
1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 17217672
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide
CID 103749027
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
CID 47168597

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride (CID 119287389) is 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride is CC(NC(=O)CCN)c1ccc(Cl)s1.Cl.
What is the InChIKey of 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride?
The InChIKey is LUAZZCNTDGIXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS.ClH/c1-6(12-9(13)4-5-11)7-2-3-8(10)14-7;/h2-3,6H,4-5,11H2,1H3,(H,12,13);1H.
What are the key properties of 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride?
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride has a molecular weight of 269.20 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119287389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).