1-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid

C12H15NO3S2 — CID 113312042

IUPAC1-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(CSCc1cccs1)NCC1(C(=O)O)CC1
InChIInChI=1S/C12H15NO3S2/c14-10(7-17-6-9-2-1-5-18-9)13-8-12(3-4-12)11(15)16/h1-2,5H,3-4,6-8H2,(H,13,14)(H,15,16)
InChIKeyOUOWIUYMOQELEI-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.96
Rot. Bonds7

About 1-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 113312042) has the molecular formula C12H15NO3S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID113312042
Molecular FormulaC12H15NO3S2
Molecular Weight285.39 g/mol
Exact Mass285.05
IUPAC Name1-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(CSCc1cccs1)NCC1(C(=O)O)CC1
InChIInChI=1S/C12H15NO3S2/c14-10(7-17-6-9-2-1-5-18-9)13-8-12(3-4-12)11(15)16/h1-2,5H,3-4,6-8H2,(H,13,14)(H,15,16)
InChIKeyOUOWIUYMOQELEI-UHFFFAOYSA-N
XLogP1.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

N-[(3-hydroxyoxolan-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 103849551
1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361995
N-[1-(hydroxymethyl)cyclopropyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 115877656
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 65124207
4-methyl-1-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43172601
N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 60645758
2-hydroxy-2-methyl-3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid
CID 66171992
2-ethyl-2-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]butanoic acid
CID 115429786
3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzamide
CID 25431782
(2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid
CID 78972918
N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 47006892
4,4-dimethyl-2-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]pentanoic acid
CID 107474120

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 113312042) is 1-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid is O=C(CSCc1cccs1)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is OUOWIUYMOQELEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S2/c14-10(7-17-6-9-2-1-5-18-9)13-8-12(3-4-12)11(15)16/h1-2,5H,3-4,6-8H2,(H,13,14)(H,15,16).
What are the key properties of 1-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 285.39 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 113312042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).