(5S)-2-methyl-5-(4-phenylthiophen-2-yl)-1,2,6-thiadiazinane 1-oxide

C14H16N2OS2 — CID 142420180

IUPAC(5S)-2-methyl-5-(4-phenylthiophen-2-yl)-1,2,6-thiadiazinane 1-oxide
SMILESCN1CC[C@@H](c2cc(-c3ccccc3)cs2)NS1=O
InChIInChI=1S/C14H16N2OS2/c1-16-8-7-13(15-19(16)17)14-9-12(10-18-14)11-5-3-2-4-6-11/h2-6,9-10,13,15H,7-8H2,1H3/t13-,19?/m0/s1
InChIKeyPQTVQSLXGGZSEE-YTJLLHSVSA-N
MW292.43 g/mol
LogP2.96
Rot. Bonds2

About (5S)-2-methyl-5-(4-phenylthiophen-2-yl)-1,2,6-thiadiazinane 1-oxide

(5S)-2-methyl-5-(4-phenylthiophen-2-yl)-1,2,6-thiadiazinane 1-oxide (PubChem CID 142420180) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is (5S)-2-methyl-5-(4-phenylthiophen-2-yl)-1,2,6-thiadiazinane 1-oxide.

Molecular Properties

Compound Name(5S)-2-methyl-5-(4-phenylthiophen-2-yl)-1,2,6-thiadiazinane 1-oxide
PubChem CID142420180
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name(5S)-2-methyl-5-(4-phenylthiophen-2-yl)-1,2,6-thiadiazinane 1-oxide
SMILESCN1CC[C@@H](c2cc(-c3ccccc3)cs2)NS1=O
InChIInChI=1S/C14H16N2OS2/c1-16-8-7-13(15-19(16)17)14-9-12(10-18-14)11-5-3-2-4-6-11/h2-6,9-10,13,15H,7-8H2,1H3/t13-,19?/m0/s1
InChIKeyPQTVQSLXGGZSEE-YTJLLHSVSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-methyl-5-(4-phenylthiophen-2-yl)-1,2,6-thiadiazinane 1-oxide?
The IUPAC name of (5S)-2-methyl-5-(4-phenylthiophen-2-yl)-1,2,6-thiadiazinane 1-oxide (CID 142420180) is (5S)-2-methyl-5-(4-phenylthiophen-2-yl)-1,2,6-thiadiazinane 1-oxide.
What is the SMILES notation for (5S)-2-methyl-5-(4-phenylthiophen-2-yl)-1,2,6-thiadiazinane 1-oxide?
The canonical SMILES for (5S)-2-methyl-5-(4-phenylthiophen-2-yl)-1,2,6-thiadiazinane 1-oxide is CN1CC[C@@H](c2cc(-c3ccccc3)cs2)NS1=O.
What is the InChIKey of (5S)-2-methyl-5-(4-phenylthiophen-2-yl)-1,2,6-thiadiazinane 1-oxide?
The InChIKey is PQTVQSLXGGZSEE-YTJLLHSVSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-16-8-7-13(15-19(16)17)14-9-12(10-18-14)11-5-3-2-4-6-11/h2-6,9-10,13,15H,7-8H2,1H3/t13-,19?/m0/s1.
What are the key properties of (5S)-2-methyl-5-(4-phenylthiophen-2-yl)-1,2,6-thiadiazinane 1-oxide?
(5S)-2-methyl-5-(4-phenylthiophen-2-yl)-1,2,6-thiadiazinane 1-oxide has a molecular weight of 292.43 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-methyl-5-(4-phenylthiophen-2-yl)-1,2,6-thiadiazinane 1-oxide is sourced from PubChem (CID 142420180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).