1,4-thiazinan-4-ium 1,1-dioxide

C4H10NO2S+ — CID 7018624

IUPAC1,4-thiazinan-4-ium 1,1-dioxide
SMILESO=S1(=O)CC[NH2+]CC1
InChIInChI=1S/C4H9NO2S/c6-8(7)3-1-5-2-4-8/h5H,1-4H2/p+1
InChIKeyNDOVLWQBFFJETK-UHFFFAOYSA-O
MW136.20 g/mol
LogP-2.02
Rot. Bonds

About 1,4-thiazinan-4-ium 1,1-dioxide

1,4-thiazinan-4-ium 1,1-dioxide (PubChem CID 7018624) has the molecular formula C4H10NO2S+ and a molecular weight of 136.20 g/mol. Its IUPAC name is 1,4-thiazinan-4-ium 1,1-dioxide.

Molecular Properties

Compound Name1,4-thiazinan-4-ium 1,1-dioxide
PubChem CID7018624
Molecular FormulaC4H10NO2S+
Molecular Weight136.20 g/mol
Exact Mass136.04
IUPAC Name1,4-thiazinan-4-ium 1,1-dioxide
SMILESO=S1(=O)CC[NH2+]CC1
InChIInChI=1S/C4H9NO2S/c6-8(7)3-1-5-2-4-8/h5H,1-4H2/p+1
InChIKeyNDOVLWQBFFJETK-UHFFFAOYSA-O
XLogP-2.02
TPSA50.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 5-2.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-thiazinan-4-ium 1,1-dioxide?
The IUPAC name of 1,4-thiazinan-4-ium 1,1-dioxide (CID 7018624) is 1,4-thiazinan-4-ium 1,1-dioxide.
What is the SMILES notation for 1,4-thiazinan-4-ium 1,1-dioxide?
The canonical SMILES for 1,4-thiazinan-4-ium 1,1-dioxide is O=S1(=O)CC[NH2+]CC1.
What is the InChIKey of 1,4-thiazinan-4-ium 1,1-dioxide?
The InChIKey is NDOVLWQBFFJETK-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9NO2S/c6-8(7)3-1-5-2-4-8/h5H,1-4H2/p+1.
What are the key properties of 1,4-thiazinan-4-ium 1,1-dioxide?
1,4-thiazinan-4-ium 1,1-dioxide has a molecular weight of 136.20 g/mol, XLogP of -2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-thiazinan-4-ium 1,1-dioxide is sourced from PubChem (CID 7018624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).