thiomorpholine-4-carbonylcarbamic acid

C6H10N2O3S — CID 140993174

IUPACthiomorpholine-4-carbonylcarbamic acid
SMILESO=C(O)NC(=O)N1CCSCC1
InChIInChI=1S/C6H10N2O3S/c9-5(7-6(10)11)8-1-3-12-4-2-8/h1-4H2,(H,7,9)(H,10,11)
InChIKeyZJHXMNSYLBLBFG-UHFFFAOYSA-N
MW190.22 g/mol
LogP0.42
Rot. Bonds

About thiomorpholine-4-carbonylcarbamic acid

thiomorpholine-4-carbonylcarbamic acid (PubChem CID 140993174) has the molecular formula C6H10N2O3S and a molecular weight of 190.22 g/mol. Its IUPAC name is thiomorpholine-4-carbonylcarbamic acid.

Molecular Properties

Compound Namethiomorpholine-4-carbonylcarbamic acid
PubChem CID140993174
Molecular FormulaC6H10N2O3S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC Namethiomorpholine-4-carbonylcarbamic acid
SMILESO=C(O)NC(=O)N1CCSCC1
InChIInChI=1S/C6H10N2O3S/c9-5(7-6(10)11)8-1-3-12-4-2-8/h1-4H2,(H,7,9)(H,10,11)
InChIKeyZJHXMNSYLBLBFG-UHFFFAOYSA-N
XLogP0.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiomorpholine-4-carbonylcarbamic acid?
The IUPAC name of thiomorpholine-4-carbonylcarbamic acid (CID 140993174) is thiomorpholine-4-carbonylcarbamic acid.
What is the SMILES notation for thiomorpholine-4-carbonylcarbamic acid?
The canonical SMILES for thiomorpholine-4-carbonylcarbamic acid is O=C(O)NC(=O)N1CCSCC1.
What is the InChIKey of thiomorpholine-4-carbonylcarbamic acid?
The InChIKey is ZJHXMNSYLBLBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3S/c9-5(7-6(10)11)8-1-3-12-4-2-8/h1-4H2,(H,7,9)(H,10,11).
What are the key properties of thiomorpholine-4-carbonylcarbamic acid?
thiomorpholine-4-carbonylcarbamic acid has a molecular weight of 190.22 g/mol, XLogP of 0.42, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholine-4-carbonylcarbamic acid is sourced from PubChem (CID 140993174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).