2-amino-2-(oxan-4-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride

C12H19ClN2O2S — CID 120786765

IUPAC2-amino-2-(oxan-4-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCc1ccsc1)C1CCOCC1
InChIInChI=1S/C12H18N2O2S.ClH/c13-11(10-1-4-16-5-2-10)12(15)14-7-9-3-6-17-8-9;/h3,6,8,10-11H,1-2,4-5,7,13H2,(H,14,15);1H
InChIKeyOJAAWZXRNZBFFJ-UHFFFAOYSA-N
MW290.82 g/mol
LogP1.54
Rot. Bonds4

About 2-amino-2-(oxan-4-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride

2-amino-2-(oxan-4-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride (PubChem CID 120786765) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride
PubChem CID120786765
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name2-amino-2-(oxan-4-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCc1ccsc1)C1CCOCC1
InChIInChI=1S/C12H18N2O2S.ClH/c13-11(10-1-4-16-5-2-10)12(15)14-7-9-3-6-17-8-9;/h3,6,8,10-11H,1-2,4-5,7,13H2,(H,14,15);1H
InChIKeyOJAAWZXRNZBFFJ-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785705
2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786149
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784359
2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 120786406
2-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120796605
2-amino-N-(thiophen-3-ylmethyl)butanediamide
CID 63246274
2-amino-N-[[3-(dimethylamino)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120797734
2-amino-2-(oxan-4-yl)-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride
CID 120793629
4-(aminomethyl)-N-(thiophen-3-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120923213
2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride
CID 120801577
2-amino-2-(oxan-4-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride
CID 120795451

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride (CID 120786765) is 2-amino-2-(oxan-4-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride is Cl.NC(C(=O)NCc1ccsc1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride?
The InChIKey is OJAAWZXRNZBFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S.ClH/c13-11(10-1-4-16-5-2-10)12(15)14-7-9-3-6-17-8-9;/h3,6,8,10-11H,1-2,4-5,7,13H2,(H,14,15);1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride?
2-amino-2-(oxan-4-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride has a molecular weight of 290.82 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 120786765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).