2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)acetamide

C7H16N2O2S — CID 43249645

IUPAC2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSCCN
InChIInChI=1S/C7H16N2O2S/c1-11-4-3-9-7(10)6-12-5-2-8/h2-6,8H2,1H3,(H,9,10)
InChIKeyRJOUJMACSOAPPJ-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.56
Rot. Bonds7

About 2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)acetamide

2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)acetamide (PubChem CID 43249645) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)acetamide
PubChem CID43249645
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSCCN
InChIInChI=1S/C7H16N2O2S/c1-11-4-3-9-7(10)6-12-5-2-8/h2-6,8H2,1H3,(H,9,10)
InChIKeyRJOUJMACSOAPPJ-UHFFFAOYSA-N
XLogP-0.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-(thiodi-2,1-ethanediyl)diacetamide
CID 2053712
1,4-Dioxa-10-thia-7,13-diazacyclopentadecane-8,12-dione
CID 11807484
2-cyclopentylsulfanyl-N-(2-methoxyethyl)acetamide
CID 52141582
1,4-Dioxa-10,13-dithia-7,16-diazacyclooctadecane-8,15-dione
CID 162625192
1,10-Dioxa-4-thia-7,13-diazacyclopentadecane-3,6,14-trione
CID 559433
N-(2-methoxyethyl)-2-methylsulfanylacetamide
CID 19001713
2-methoxy-N-(2-methylsulfanylethyl)acetamide
CID 19026860
5,9-Dioxo-1-oxa-7-thia-4,10-diazacyclododecane
CID 19866789
N-[2-(1,5-dithiocan-2-yloxy)ethyl]acetamide
CID 20731400
2-[2-(ethylamino)-2-oxoethyl]sulfanyl-N-methylacetamide
CID 52141086
N-(2-methoxyethyl)-2-sulfanylacetamide
CID 55207201
CID 57616890
CID 57616890

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)acetamide (CID 43249645) is 2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CSCCN.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)acetamide?
The InChIKey is RJOUJMACSOAPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-11-4-3-9-7(10)6-12-5-2-8/h2-6,8H2,1H3,(H,9,10).
What are the key properties of 2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)acetamide?
2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)acetamide has a molecular weight of 192.28 g/mol, XLogP of -0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 43249645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).