(1S,3R)-1-oxothiolan-3-amine

C4H9NOS — CID 95566573

IUPAC(1S,3R)-1-oxothiolan-3-amine
SMILESN[C@@H]1CC[S@](=O)C1
InChIInChI=1S/C4H9NOS/c5-4-1-2-7(6)3-4/h4H,1-3,5H2/t4-,7+/m1/s1
InChIKeyIZIQAJJTLDOLGI-FBCQKBJTSA-N
MW119.19 g/mol
LogP-0.53
Rot. Bonds

About (1S,3R)-1-oxothiolan-3-amine

(1S,3R)-1-oxothiolan-3-amine (PubChem CID 95566573) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is (1S,3R)-1-oxothiolan-3-amine.

Molecular Properties

Compound Name(1S,3R)-1-oxothiolan-3-amine
PubChem CID95566573
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Name(1S,3R)-1-oxothiolan-3-amine
SMILESN[C@@H]1CC[S@](=O)C1
InChIInChI=1S/C4H9NOS/c5-4-1-2-7(6)3-4/h4H,1-3,5H2/t4-,7+/m1/s1
InChIKeyIZIQAJJTLDOLGI-FBCQKBJTSA-N
XLogP-0.53
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,3R)-1-oxothiolan-3-amine?
The IUPAC name of (1S,3R)-1-oxothiolan-3-amine (CID 95566573) is (1S,3R)-1-oxothiolan-3-amine.
What is the SMILES notation for (1S,3R)-1-oxothiolan-3-amine?
The canonical SMILES for (1S,3R)-1-oxothiolan-3-amine is N[C@@H]1CC[S@](=O)C1.
What is the InChIKey of (1S,3R)-1-oxothiolan-3-amine?
The InChIKey is IZIQAJJTLDOLGI-FBCQKBJTSA-N. The full InChI is InChI=1S/C4H9NOS/c5-4-1-2-7(6)3-4/h4H,1-3,5H2/t4-,7+/m1/s1.
What are the key properties of (1S,3R)-1-oxothiolan-3-amine?
(1S,3R)-1-oxothiolan-3-amine has a molecular weight of 119.19 g/mol, XLogP of -0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-1-oxothiolan-3-amine is sourced from PubChem (CID 95566573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).