2-(ethylamino)-2-(thiolan-3-yl)acetamide

C8H16N2OS — CID 107132951

IUPAC2-(ethylamino)-2-(thiolan-3-yl)acetamide
SMILESCCNC(C(N)=O)C1CCSC1
InChIInChI=1S/C8H16N2OS/c1-2-10-7(8(9)11)6-3-4-12-5-6/h6-7,10H,2-5H2,1H3,(H2,9,11)
InChIKeyBKRBVUBWLSCDQI-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.20
Rot. Bonds4

About 2-(ethylamino)-2-(thiolan-3-yl)acetamide

2-(ethylamino)-2-(thiolan-3-yl)acetamide (PubChem CID 107132951) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 2-(ethylamino)-2-(thiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(ethylamino)-2-(thiolan-3-yl)acetamide
PubChem CID107132951
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name2-(ethylamino)-2-(thiolan-3-yl)acetamide
SMILESCCNC(C(N)=O)C1CCSC1
InChIInChI=1S/C8H16N2OS/c1-2-10-7(8(9)11)6-3-4-12-5-6/h6-7,10H,2-5H2,1H3,(H2,9,11)
InChIKeyBKRBVUBWLSCDQI-UHFFFAOYSA-N
XLogP0.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-(thiolan-3-yl)acetamide?
The IUPAC name of 2-(ethylamino)-2-(thiolan-3-yl)acetamide (CID 107132951) is 2-(ethylamino)-2-(thiolan-3-yl)acetamide.
What is the SMILES notation for 2-(ethylamino)-2-(thiolan-3-yl)acetamide?
The canonical SMILES for 2-(ethylamino)-2-(thiolan-3-yl)acetamide is CCNC(C(N)=O)C1CCSC1.
What is the InChIKey of 2-(ethylamino)-2-(thiolan-3-yl)acetamide?
The InChIKey is BKRBVUBWLSCDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-2-10-7(8(9)11)6-3-4-12-5-6/h6-7,10H,2-5H2,1H3,(H2,9,11).
What are the key properties of 2-(ethylamino)-2-(thiolan-3-yl)acetamide?
2-(ethylamino)-2-(thiolan-3-yl)acetamide has a molecular weight of 188.30 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-(thiolan-3-yl)acetamide is sourced from PubChem (CID 107132951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).