2-(2-aminoethylsulfanyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C10H16N2OS2 — CID 43249617

IUPAC2-(2-aminoethylsulfanyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CSCCN
InChIInChI=1S/C10H16N2OS2/c1-12(6-9-2-4-14-7-9)10(13)8-15-5-3-11/h2,4,7H,3,5-6,8,11H2,1H3
InChIKeyXULGITBCVDLJRG-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.40
Rot. Bonds6

About 2-(2-aminoethylsulfanyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2-(2-aminoethylsulfanyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 43249617) has the molecular formula C10H16N2OS2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID43249617
Molecular FormulaC10H16N2OS2
Molecular Weight244.38 g/mol
Exact Mass244.07
IUPAC Name2-(2-aminoethylsulfanyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CSCCN
InChIInChI=1S/C10H16N2OS2/c1-12(6-9-2-4-14-7-9)10(13)8-15-5-3-11/h2,4,7H,3,5-6,8,11H2,1H3
InChIKeyXULGITBCVDLJRG-UHFFFAOYSA-N
XLogP1.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 43249617) is 2-(2-aminoethylsulfanyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)CSCCN.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is XULGITBCVDLJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS2/c1-12(6-9-2-4-14-7-9)10(13)8-15-5-3-11/h2,4,7H,3,5-6,8,11H2,1H3.
What are the key properties of 2-(2-aminoethylsulfanyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-(2-aminoethylsulfanyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 244.38 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 43249617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).