2-(3-aminothiolan-3-yl)acetamide

C6H12N2OS — CID 83682209

IUPAC2-(3-aminothiolan-3-yl)acetamide
SMILESNC(=O)CC1(N)CCSC1
InChIInChI=1S/C6H12N2OS/c7-5(9)3-6(8)1-2-10-4-6/h1-4,8H2,(H2,7,9)
InChIKeyQQTLUBBRVRLDMF-UHFFFAOYSA-N
MW160.24 g/mol
LogP-0.30
Rot. Bonds2

About 2-(3-aminothiolan-3-yl)acetamide

2-(3-aminothiolan-3-yl)acetamide (PubChem CID 83682209) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is 2-(3-aminothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminothiolan-3-yl)acetamide
PubChem CID83682209
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Name2-(3-aminothiolan-3-yl)acetamide
SMILESNC(=O)CC1(N)CCSC1
InChIInChI=1S/C6H12N2OS/c7-5(9)3-6(8)1-2-10-4-6/h1-4,8H2,(H2,7,9)
InChIKeyQQTLUBBRVRLDMF-UHFFFAOYSA-N
XLogP-0.30
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminothiolan-3-yl)acetamide?
The IUPAC name of 2-(3-aminothiolan-3-yl)acetamide (CID 83682209) is 2-(3-aminothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(3-aminothiolan-3-yl)acetamide?
The canonical SMILES for 2-(3-aminothiolan-3-yl)acetamide is NC(=O)CC1(N)CCSC1.
What is the InChIKey of 2-(3-aminothiolan-3-yl)acetamide?
The InChIKey is QQTLUBBRVRLDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c7-5(9)3-6(8)1-2-10-4-6/h1-4,8H2,(H2,7,9).
What are the key properties of 2-(3-aminothiolan-3-yl)acetamide?
2-(3-aminothiolan-3-yl)acetamide has a molecular weight of 160.24 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminothiolan-3-yl)acetamide is sourced from PubChem (CID 83682209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).