2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide

C12H16N2O2S2 — CID 60598427

IUPAC2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide
SMILESNC(=O)CSCC(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C12H16N2O2S2/c13-11(15)7-18-8-12(16)14(10-1-2-10)5-9-3-4-17-6-9/h3-4,6,10H,1-2,5,7-8H2,(H2,13,15)
InChIKeyCXGLMPZCAQINTB-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.46
Rot. Bonds7

About 2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide

2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide (PubChem CID 60598427) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide
PubChem CID60598427
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC Name2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide
SMILESNC(=O)CSCC(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C12H16N2O2S2/c13-11(15)7-18-8-12(16)14(10-1-2-10)5-9-3-4-17-6-9/h3-4,6,10H,1-2,5,7-8H2,(H2,13,15)
InChIKeyCXGLMPZCAQINTB-UHFFFAOYSA-N
XLogP1.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(pyridin-2-ylmethylsulfanyl)-N-(thiophen-3-ylmethyl)acetamide
CID 51095235
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
N-cyclopropyl-2-(2,5-dioxopyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 47500513
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219
2-amino-N-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]acetamide
CID 61168568
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
(2R)-2-amino-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
CID 61168373
4-amino-N-cyclopropyl-1-ethyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 61433686
3-(2-aminophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 107272972
2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide
CID 62799810
(2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 61168167

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of 2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide (CID 60598427) is 2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide is NC(=O)CSCC(=O)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is CXGLMPZCAQINTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/c13-11(15)7-18-8-12(16)14(10-1-2-10)5-9-3-4-17-6-9/h3-4,6,10H,1-2,5,7-8H2,(H2,13,15).
What are the key properties of 2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide?
2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 284.41 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 60598427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).