N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dithiolane-2-carboxamide

C8H15NO2S2 — CID 131041969

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-1,3-dithiolane-2-carboxamide
SMILESCC(C)(CO)NC(=O)C1SCCS1
InChIInChI=1S/C8H15NO2S2/c1-8(2,5-10)9-6(11)7-12-3-4-13-7/h7,10H,3-5H2,1-2H3,(H,9,11)
InChIKeyJVESCUVHGKRALW-UHFFFAOYSA-N
MW221.35 g/mol
LogP0.68
Rot. Bonds3

About N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dithiolane-2-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dithiolane-2-carboxamide (PubChem CID 131041969) has the molecular formula C8H15NO2S2 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dithiolane-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-1,3-dithiolane-2-carboxamide
PubChem CID131041969
Molecular FormulaC8H15NO2S2
Molecular Weight221.35 g/mol
Exact Mass221.05
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-1,3-dithiolane-2-carboxamide
SMILESCC(C)(CO)NC(=O)C1SCCS1
InChIInChI=1S/C8H15NO2S2/c1-8(2,5-10)9-6(11)7-12-3-4-13-7/h7,10H,3-5H2,1-2H3,(H,9,11)
InChIKeyJVESCUVHGKRALW-UHFFFAOYSA-N
XLogP0.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dithiolane-2-carboxamide 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 N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dithiolane-2-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dithiolane-2-carboxamide (CID 131041969) is N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dithiolane-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dithiolane-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dithiolane-2-carboxamide is CC(C)(CO)NC(=O)C1SCCS1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dithiolane-2-carboxamide?
The InChIKey is JVESCUVHGKRALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S2/c1-8(2,5-10)9-6(11)7-12-3-4-13-7/h7,10H,3-5H2,1-2H3,(H,9,11).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dithiolane-2-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dithiolane-2-carboxamide has a molecular weight of 221.35 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dithiolane-2-carboxamide is sourced from PubChem (CID 131041969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).