4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]oxane-4-carboxamide

C12H17ClN2O2S — CID 113280622

IUPAC4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]oxane-4-carboxamide
SMILESCC(NC(=O)C1(N)CCOCC1)c1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2O2S/c1-8(9-2-3-10(13)18-9)15-11(16)12(14)4-6-17-7-5-12/h2-3,8H,4-7,14H2,1H3,(H,15,16)
InChIKeyYZUNUCOYHJWEAC-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.09
Rot. Bonds3

About 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]oxane-4-carboxamide

4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]oxane-4-carboxamide (PubChem CID 113280622) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]oxane-4-carboxamide
PubChem CID113280622
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]oxane-4-carboxamide
SMILESCC(NC(=O)C1(N)CCOCC1)c1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2O2S/c1-8(9-2-3-10(13)18-9)15-11(16)12(14)4-6-17-7-5-12/h2-3,8H,4-7,14H2,1H3,(H,15,16)
InChIKeyYZUNUCOYHJWEAC-UHFFFAOYSA-N
XLogP2.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936566
4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide
CID 113280798
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 115295227
(1R)-2,2-dichloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 39271937
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115295213
3-amino-N-(1-thiophen-2-ylethyl)oxolane-3-carboxamide
CID 64892097
4-amino-N-[1-(2-methylphenyl)ethyl]oxane-4-carboxamide
CID 115294658
4-amino-N-[(1S)-1-(2-methylphenyl)ethyl]oxane-4-carboxamide
CID 115295233
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115295221
2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydroxybenzamide
CID 106501533
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 39272941

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]oxane-4-carboxamide (CID 113280622) is 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]oxane-4-carboxamide is CC(NC(=O)C1(N)CCOCC1)c1ccc(Cl)s1.
What is the InChIKey of 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]oxane-4-carboxamide?
The InChIKey is YZUNUCOYHJWEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-8(9-2-3-10(13)18-9)15-11(16)12(14)4-6-17-7-5-12/h2-3,8H,4-7,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]oxane-4-carboxamide?
4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]oxane-4-carboxamide has a molecular weight of 288.80 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 113280622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).