(5S)-5-[4-(1H-imidazol-5-yl)thiophen-2-yl]-2-methyl-1,2,6-thiadiazinane 1,1-dioxide

C11H14N4O2S2 — CID 156570542

IUPAC(5S)-5-[4-(1H-imidazol-5-yl)thiophen-2-yl]-2-methyl-1,2,6-thiadiazinane 1,1-dioxide
SMILESCN1CC[C@@H](c2cc(-c3cnc[nH]3)cs2)NS1(=O)=O
InChIInChI=1S/C11H14N4O2S2/c1-15-3-2-9(14-19(15,16)17)11-4-8(6-18-11)10-5-12-7-13-10/h4-7,9,14H,2-3H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyJZCGIAREHOYAIC-VIFPVBQESA-N
MW298.39 g/mol
LogP1.35
Rot. Bonds2

About (5S)-5-[4-(1H-imidazol-5-yl)thiophen-2-yl]-2-methyl-1,2,6-thiadiazinane 1,1-dioxide

(5S)-5-[4-(1H-imidazol-5-yl)thiophen-2-yl]-2-methyl-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 156570542) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (5S)-5-[4-(1H-imidazol-5-yl)thiophen-2-yl]-2-methyl-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name(5S)-5-[4-(1H-imidazol-5-yl)thiophen-2-yl]-2-methyl-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID156570542
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC Name(5S)-5-[4-(1H-imidazol-5-yl)thiophen-2-yl]-2-methyl-1,2,6-thiadiazinane 1,1-dioxide
SMILESCN1CC[C@@H](c2cc(-c3cnc[nH]3)cs2)NS1(=O)=O
InChIInChI=1S/C11H14N4O2S2/c1-15-3-2-9(14-19(15,16)17)11-4-8(6-18-11)10-5-12-7-13-10/h4-7,9,14H,2-3H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyJZCGIAREHOYAIC-VIFPVBQESA-N
XLogP1.35
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S)-5-[4-(1H-imidazol-5-yl)thiophen-2-yl]-2-methyl-1,2,6-thiadiazinane 1,1-dioxide 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 (5S)-5-[4-(1H-imidazol-5-yl)thiophen-2-yl]-2-methyl-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of (5S)-5-[4-(1H-imidazol-5-yl)thiophen-2-yl]-2-methyl-1,2,6-thiadiazinane 1,1-dioxide (CID 156570542) is (5S)-5-[4-(1H-imidazol-5-yl)thiophen-2-yl]-2-methyl-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for (5S)-5-[4-(1H-imidazol-5-yl)thiophen-2-yl]-2-methyl-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for (5S)-5-[4-(1H-imidazol-5-yl)thiophen-2-yl]-2-methyl-1,2,6-thiadiazinane 1,1-dioxide is CN1CC[C@@H](c2cc(-c3cnc[nH]3)cs2)NS1(=O)=O.
What is the InChIKey of (5S)-5-[4-(1H-imidazol-5-yl)thiophen-2-yl]-2-methyl-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is JZCGIAREHOYAIC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N4O2S2/c1-15-3-2-9(14-19(15,16)17)11-4-8(6-18-11)10-5-12-7-13-10/h4-7,9,14H,2-3H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (5S)-5-[4-(1H-imidazol-5-yl)thiophen-2-yl]-2-methyl-1,2,6-thiadiazinane 1,1-dioxide?
(5S)-5-[4-(1H-imidazol-5-yl)thiophen-2-yl]-2-methyl-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 298.39 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-(1H-imidazol-5-yl)thiophen-2-yl]-2-methyl-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 156570542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).