2-(2-aminoethylsulfanyl)-N-(1-methoxypropan-2-yl)acetamide

C8H18N2O2S — CID 43249663

IUPAC2-(2-aminoethylsulfanyl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CSCCN
InChIInChI=1S/C8H18N2O2S/c1-7(5-12-2)10-8(11)6-13-4-3-9/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyXYOGZNGURRYBIH-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.17
Rot. Bonds7

About 2-(2-aminoethylsulfanyl)-N-(1-methoxypropan-2-yl)acetamide

2-(2-aminoethylsulfanyl)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 43249663) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID43249663
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-(2-aminoethylsulfanyl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CSCCN
InChIInChI=1S/C8H18N2O2S/c1-7(5-12-2)10-8(11)6-13-4-3-9/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyXYOGZNGURRYBIH-UHFFFAOYSA-N
XLogP-0.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.17
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

1,4-Dioxa-10-thia-7,13-diazacyclopentadecane-8,12-dione
CID 11807484
2-cyclopentylsulfanyl-N-(2-methoxyethyl)acetamide
CID 52141582
N-(2-methoxyethyl)-2-methylsulfanylacetamide
CID 19001713
5,9-Dioxo-1-oxa-7-thia-4,10-diazacyclododecane
CID 19866789
N-[2-(1,5-dithiocan-2-yloxy)ethyl]acetamide
CID 20731400
CID 59411914
CID 59411914
CID 59866919
CID 59866919
N-(1-methoxypropan-2-yl)-2-sulfanylacetamide
CID 60650036
N-(1,3-oxathian-5-yl)acetamide
CID 67190769
S-3-(2-methoxyethylamino)-3-oxopropyl ethanethioate
CID 86709233
N-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethyl]acetamide
CID 88544622
3-[2-[3-[2-(Dimethylamino)ethoxy]propylamino]-2-oxoethyl]sulfanylpropanamide
CID 88553395

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-(1-methoxypropan-2-yl)acetamide (CID 43249663) is 2-(2-aminoethylsulfanyl)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CSCCN.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is XYOGZNGURRYBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7(5-12-2)10-8(11)6-13-4-3-9/h7H,3-6,9H2,1-2H3,(H,10,11).
What are the key properties of 2-(2-aminoethylsulfanyl)-N-(1-methoxypropan-2-yl)acetamide?
2-(2-aminoethylsulfanyl)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 206.31 g/mol, XLogP of -0.17, 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-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 43249663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).