(1,1-dioxothiolan-3-yl)methylcarbamic acid

C6H11NO4S — CID 140514338

IUPAC(1,1-dioxothiolan-3-yl)methylcarbamic acid
SMILESO=C(O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C6H11NO4S/c8-6(9)7-3-5-1-2-12(10,11)4-5/h5,7H,1-4H2,(H,8,9)
InChIKeyYGXXQCZUXDGKIZ-UHFFFAOYSA-N
MW193.22 g/mol
LogP-0.31
Rot. Bonds2

About (1,1-dioxothiolan-3-yl)methylcarbamic acid

(1,1-dioxothiolan-3-yl)methylcarbamic acid (PubChem CID 140514338) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl)methylcarbamic acid.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl)methylcarbamic acid
PubChem CID140514338
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Name(1,1-dioxothiolan-3-yl)methylcarbamic acid
SMILESO=C(O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C6H11NO4S/c8-6(9)7-3-5-1-2-12(10,11)4-5/h5,7H,1-4H2,(H,8,9)
InChIKeyYGXXQCZUXDGKIZ-UHFFFAOYSA-N
XLogP-0.31
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1,1-dioxothiolan-3-yl)methylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-3-yl)methylcarbamic acid?
The IUPAC name of (1,1-dioxothiolan-3-yl)methylcarbamic acid (CID 140514338) is (1,1-dioxothiolan-3-yl)methylcarbamic acid.
What is the SMILES notation for (1,1-dioxothiolan-3-yl)methylcarbamic acid?
The canonical SMILES for (1,1-dioxothiolan-3-yl)methylcarbamic acid is O=C(O)NCC1CCS(=O)(=O)C1.
What is the InChIKey of (1,1-dioxothiolan-3-yl)methylcarbamic acid?
The InChIKey is YGXXQCZUXDGKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S/c8-6(9)7-3-5-1-2-12(10,11)4-5/h5,7H,1-4H2,(H,8,9).
What are the key properties of (1,1-dioxothiolan-3-yl)methylcarbamic acid?
(1,1-dioxothiolan-3-yl)methylcarbamic acid has a molecular weight of 193.22 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-3-yl)methylcarbamic acid is sourced from PubChem (CID 140514338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).