2-(2-aminoethoxy)-N-(thian-3-yl)acetamide

C9H18N2O2S — CID 115740727

IUPAC2-(2-aminoethoxy)-N-(thian-3-yl)acetamide
SMILESNCCOCC(=O)NC1CCCSC1
InChIInChI=1S/C9H18N2O2S/c10-3-4-13-6-9(12)11-8-2-1-5-14-7-8/h8H,1-7,10H2,(H,11,12)
InChIKeySUIGJYNYXJRFLI-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.03
Rot. Bonds5

About 2-(2-aminoethoxy)-N-(thian-3-yl)acetamide

2-(2-aminoethoxy)-N-(thian-3-yl)acetamide (PubChem CID 115740727) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(thian-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(thian-3-yl)acetamide
PubChem CID115740727
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-(2-aminoethoxy)-N-(thian-3-yl)acetamide
SMILESNCCOCC(=O)NC1CCCSC1
InChIInChI=1S/C9H18N2O2S/c10-3-4-13-6-9(12)11-8-2-1-5-14-7-8/h8H,1-7,10H2,(H,11,12)
InChIKeySUIGJYNYXJRFLI-UHFFFAOYSA-N
XLogP-0.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.03
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

4-[[2-(2-aminoethoxy)acetyl]amino]cyclohexane-1-carboxamide
CID 79473987
1-(2-aminoethyl)-3-(thian-3-yl)urea
CID 117234777
2-pentoxy-N-(thietan-3-yl)acetamide
CID 126832129
2-(2-aminoethoxy)-N-(thiolan-2-ylmethyl)acetamide
CID 80584421
2-(tert-butylamino)-N-(thian-3-yl)acetamide
CID 115674777
tert-butyl N-(thian-3-yl)carbamate
CID 14024569
2-(2-aminoethoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 79473115
2-(2-cyanophenoxy)-N-(thian-3-yl)acetamide
CID 115674794
(2S)-2-amino-N-(thian-3-yl)butanamide
CID 103797750
2-methyl-N-(thian-3-yl)propanamide
CID 115674781
2-(aminomethyl)-4-methyl-N-(thian-3-yl)pentanamide
CID 115740731
2-(4-cyanophenyl)-N-(thian-3-yl)acetamide
CID 115674764

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(thian-3-yl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(thian-3-yl)acetamide (CID 115740727) is 2-(2-aminoethoxy)-N-(thian-3-yl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(thian-3-yl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(thian-3-yl)acetamide is NCCOCC(=O)NC1CCCSC1.
What is the InChIKey of 2-(2-aminoethoxy)-N-(thian-3-yl)acetamide?
The InChIKey is SUIGJYNYXJRFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c10-3-4-13-6-9(12)11-8-2-1-5-14-7-8/h8H,1-7,10H2,(H,11,12).
What are the key properties of 2-(2-aminoethoxy)-N-(thian-3-yl)acetamide?
2-(2-aminoethoxy)-N-(thian-3-yl)acetamide has a molecular weight of 218.32 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(thian-3-yl)acetamide is sourced from PubChem (CID 115740727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).