2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1-oxide

C13H23N3OS2 — CID 133479366

IUPAC2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1-oxide
SMILESCCC1(CC)CN(c2nc(C(C)C)ns2)CCS1=O
InChIInChI=1S/C13H23N3OS2/c1-5-13(6-2)9-16(7-8-19(13)17)12-14-11(10(3)4)15-18-12/h10H,5-9H2,1-4H3
InChIKeyYEOFDIRBDKOSMP-UHFFFAOYSA-N
MW301.48 g/mol
LogP2.79
Rot. Bonds4

About 2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1-oxide

2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1-oxide (PubChem CID 133479366) has the molecular formula C13H23N3OS2 and a molecular weight of 301.48 g/mol. Its IUPAC name is 2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1-oxide
PubChem CID133479366
Molecular FormulaC13H23N3OS2
Molecular Weight301.48 g/mol
Exact Mass301.13
IUPAC Name2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1-oxide
SMILESCCC1(CC)CN(c2nc(C(C)C)ns2)CCS1=O
InChIInChI=1S/C13H23N3OS2/c1-5-13(6-2)9-16(7-8-19(13)17)12-14-11(10(3)4)15-18-12/h10H,5-9H2,1-4H3
InChIKeyYEOFDIRBDKOSMP-UHFFFAOYSA-N
XLogP2.79
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1-oxide?
The IUPAC name of 2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1-oxide (CID 133479366) is 2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1-oxide is CCC1(CC)CN(c2nc(C(C)C)ns2)CCS1=O.
What is the InChIKey of 2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1-oxide?
The InChIKey is YEOFDIRBDKOSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS2/c1-5-13(6-2)9-16(7-8-19(13)17)12-14-11(10(3)4)15-18-12/h10H,5-9H2,1-4H3.
What are the key properties of 2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1-oxide?
2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1-oxide has a molecular weight of 301.48 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 133479366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).