1,1-dioxo-N-(oxolan-2-ylmethyl)thiane-4-carboxamide

C11H19NO4S — CID 110849495

IUPAC1,1-dioxo-N-(oxolan-2-ylmethyl)thiane-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C11H19NO4S/c13-11(12-8-10-2-1-5-16-10)9-3-6-17(14,15)7-4-9/h9-10H,1-8H2,(H,12,13)
InChIKeyVUPQRHUJUQQDSD-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.11
Rot. Bonds3

About 1,1-dioxo-N-(oxolan-2-ylmethyl)thiane-4-carboxamide

1,1-dioxo-N-(oxolan-2-ylmethyl)thiane-4-carboxamide (PubChem CID 110849495) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 1,1-dioxo-N-(oxolan-2-ylmethyl)thiane-4-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-N-(oxolan-2-ylmethyl)thiane-4-carboxamide
PubChem CID110849495
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name1,1-dioxo-N-(oxolan-2-ylmethyl)thiane-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C11H19NO4S/c13-11(12-8-10-2-1-5-16-10)9-3-6-17(14,15)7-4-9/h9-10H,1-8H2,(H,12,13)
InChIKeyVUPQRHUJUQQDSD-UHFFFAOYSA-N
XLogP0.11
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1-dioxo-N-(oxolan-2-ylmethyl)thiane-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-N-(1,1-dioxothiolan-3-yl)-4-N-methyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146924
4-N-cyclohexyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146083
4-N-(2-methylpropyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109145227
(3R)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 124748940
N-[[(2S)-oxolan-2-yl]methyl]-1-sulfamoylpiperidine-4-carboxamide
CID 95158485
(3S)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 124748941
(3R)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 81123197
1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 113003358
4-(morpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 109146739
N-(oxolan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 4131826
4-N-butan-2-yl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109145407
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(oxolan-2-ylmethyl)thiane-4-carboxamide?
The IUPAC name of 1,1-dioxo-N-(oxolan-2-ylmethyl)thiane-4-carboxamide (CID 110849495) is 1,1-dioxo-N-(oxolan-2-ylmethyl)thiane-4-carboxamide.
What is the SMILES notation for 1,1-dioxo-N-(oxolan-2-ylmethyl)thiane-4-carboxamide?
The canonical SMILES for 1,1-dioxo-N-(oxolan-2-ylmethyl)thiane-4-carboxamide is O=C(NCC1CCCO1)C1CCS(=O)(=O)CC1.
What is the InChIKey of 1,1-dioxo-N-(oxolan-2-ylmethyl)thiane-4-carboxamide?
The InChIKey is VUPQRHUJUQQDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c13-11(12-8-10-2-1-5-16-10)9-3-6-17(14,15)7-4-9/h9-10H,1-8H2,(H,12,13).
What are the key properties of 1,1-dioxo-N-(oxolan-2-ylmethyl)thiane-4-carboxamide?
1,1-dioxo-N-(oxolan-2-ylmethyl)thiane-4-carboxamide has a molecular weight of 261.34 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(oxolan-2-ylmethyl)thiane-4-carboxamide is sourced from PubChem (CID 110849495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).