N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]thiohydroxylamine

C11H16N2O2S2 — CID 167295048

IUPACN-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]thiohydroxylamine
SMILESO=S1(=O)CCN(c2ccc(CNS)cc2)CC1
InChIInChI=1S/C11H16N2O2S2/c14-17(15)7-5-13(6-8-17)11-3-1-10(2-4-11)9-12-16/h1-4,12,16H,5-9H2
InChIKeyFTRUCVMTLHLPCB-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.86
Rot. Bonds3

About N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]thiohydroxylamine

N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]thiohydroxylamine (PubChem CID 167295048) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]thiohydroxylamine
PubChem CID167295048
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC NameN-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]thiohydroxylamine
SMILESO=S1(=O)CCN(c2ccc(CNS)cc2)CC1
InChIInChI=1S/C11H16N2O2S2/c14-17(15)7-5-13(6-8-17)11-3-1-10(2-4-11)9-12-16/h1-4,12,16H,5-9H2
InChIKeyFTRUCVMTLHLPCB-UHFFFAOYSA-N
XLogP0.86
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63060590
4-[(4-pyrrolidin-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 168512730
4-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-1,4-thiazinane 1,1-dioxide
CID 86300184
carbon dioxide;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide
CID 160755106
(1R,2S)-2-amino-1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-fluoropropan-1-ol
CID 71050351
1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-methylmethanimine
CID 171514731
3-phenyl-1,3-thiazolidine 1,1-dioxide
CID 90274724
4-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide
CID 147274255
N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 135194069
[4-(4-methylpiperazin-1-yl)phenyl]methylhydrazine
CID 126609483
(4-pyrrolidin-1-ylphenyl)methylhydrazine
CID 22728051
4-[5-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 61256629

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]thiohydroxylamine?
The IUPAC name of N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]thiohydroxylamine (CID 167295048) is N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]thiohydroxylamine.
What is the SMILES notation for N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]thiohydroxylamine?
The canonical SMILES for N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]thiohydroxylamine is O=S1(=O)CCN(c2ccc(CNS)cc2)CC1.
What is the InChIKey of N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]thiohydroxylamine?
The InChIKey is FTRUCVMTLHLPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c14-17(15)7-5-13(6-8-17)11-3-1-10(2-4-11)9-12-16/h1-4,12,16H,5-9H2.
What are the key properties of N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]thiohydroxylamine?
N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]thiohydroxylamine has a molecular weight of 272.39 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]thiohydroxylamine is sourced from PubChem (CID 167295048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).