3-amino-N-(thiolan-3-yl)oxolane-3-carboxamide

C9H16N2O2S — CID 103063098

IUPAC3-amino-N-(thiolan-3-yl)oxolane-3-carboxamide
SMILESNC1(C(=O)NC2CCSC2)CCOC1
InChIInChI=1S/C9H16N2O2S/c10-9(2-3-13-6-9)8(12)11-7-1-4-14-5-7/h7H,1-6,10H2,(H,11,12)
InChIKeyMNCZVKARLBQOLI-UHFFFAOYSA-N
MW216.31 g/mol
LogP-0.27
Rot. Bonds2

About 3-amino-N-(thiolan-3-yl)oxolane-3-carboxamide

3-amino-N-(thiolan-3-yl)oxolane-3-carboxamide (PubChem CID 103063098) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 3-amino-N-(thiolan-3-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(thiolan-3-yl)oxolane-3-carboxamide
PubChem CID103063098
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name3-amino-N-(thiolan-3-yl)oxolane-3-carboxamide
SMILESNC1(C(=O)NC2CCSC2)CCOC1
InChIInChI=1S/C9H16N2O2S/c10-9(2-3-13-6-9)8(12)11-7-1-4-14-5-7/h7H,1-6,10H2,(H,11,12)
InChIKeyMNCZVKARLBQOLI-UHFFFAOYSA-N
XLogP-0.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(thiolan-3-yl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(thiolan-3-yl)oxolane-3-carboxamide (CID 103063098) is 3-amino-N-(thiolan-3-yl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(thiolan-3-yl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(thiolan-3-yl)oxolane-3-carboxamide is NC1(C(=O)NC2CCSC2)CCOC1.
What is the InChIKey of 3-amino-N-(thiolan-3-yl)oxolane-3-carboxamide?
The InChIKey is MNCZVKARLBQOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c10-9(2-3-13-6-9)8(12)11-7-1-4-14-5-7/h7H,1-6,10H2,(H,11,12).
What are the key properties of 3-amino-N-(thiolan-3-yl)oxolane-3-carboxamide?
3-amino-N-(thiolan-3-yl)oxolane-3-carboxamide has a molecular weight of 216.31 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(thiolan-3-yl)oxolane-3-carboxamide is sourced from PubChem (CID 103063098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).