1-oxothiolan-3-amine;hydrochloride

C4H10ClNOS — CID 54595889

IUPAC1-oxothiolan-3-amine;hydrochloride
SMILESCl.NC1CCS(=O)C1
InChIInChI=1S/C4H9NOS.ClH/c5-4-1-2-7(6)3-4;/h4H,1-3,5H2;1H
InChIKeyXZMMMJCHVCJRNZ-UHFFFAOYSA-N
MW155.65 g/mol
LogP-0.11
Rot. Bonds

About 1-oxothiolan-3-amine;hydrochloride

1-oxothiolan-3-amine;hydrochloride (PubChem CID 54595889) has the molecular formula C4H10ClNOS and a molecular weight of 155.65 g/mol. Its IUPAC name is 1-oxothiolan-3-amine;hydrochloride.

Molecular Properties

Compound Name1-oxothiolan-3-amine;hydrochloride
PubChem CID54595889
Molecular FormulaC4H10ClNOS
Molecular Weight155.65 g/mol
Exact Mass155.02
IUPAC Name1-oxothiolan-3-amine;hydrochloride
SMILESCl.NC1CCS(=O)C1
InChIInChI=1S/C4H9NOS.ClH/c5-4-1-2-7(6)3-4;/h4H,1-3,5H2;1H
InChIKeyXZMMMJCHVCJRNZ-UHFFFAOYSA-N
XLogP-0.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.65
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxothiolan-3-amine;hydrochloride?
The IUPAC name of 1-oxothiolan-3-amine;hydrochloride (CID 54595889) is 1-oxothiolan-3-amine;hydrochloride.
What is the SMILES notation for 1-oxothiolan-3-amine;hydrochloride?
The canonical SMILES for 1-oxothiolan-3-amine;hydrochloride is Cl.NC1CCS(=O)C1.
What is the InChIKey of 1-oxothiolan-3-amine;hydrochloride?
The InChIKey is XZMMMJCHVCJRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS.ClH/c5-4-1-2-7(6)3-4;/h4H,1-3,5H2;1H.
What are the key properties of 1-oxothiolan-3-amine;hydrochloride?
1-oxothiolan-3-amine;hydrochloride has a molecular weight of 155.65 g/mol, XLogP of -0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxothiolan-3-amine;hydrochloride is sourced from PubChem (CID 54595889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).