2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine

C8H18N2O2S — CID 43581323

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H18N2O2S/c1-8(2,7-9)10-3-5-13(11,12)6-4-10/h3-7,9H2,1-2H3
InChIKeyYSPBVDWYXLWACP-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.55
Rot. Bonds2

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine

2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine (PubChem CID 43581323) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine
PubChem CID43581323
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H18N2O2S/c1-8(2,7-9)10-3-5-13(11,12)6-4-10/h3-7,9H2,1-2H3
InChIKeyYSPBVDWYXLWACP-UHFFFAOYSA-N
XLogP-0.55
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Tert-butyl-1,4-thiazinane 1,1-dioxide
CID 11127102
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine
CID 12708260
4-(2-Ethanesulfonyl-ethyl)-piperazine
CID 13077523
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylethanamine
CID 20747445
2-Methyl-2-(thiomorpholin-4-yl)propan-1-amine
CID 28787056
2-(1,1-Dioxo-1,4-thiazinan-4-yl)propan-1-amine
CID 43581307
4-(2-Aminopropyl)-1,4-thiazaperhydroine-1,1-dione
CID 43581610
2-Methyl-2-piperazin-1-ylpropane-1-sulfonamide
CID 57056991
(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-amine
CID 57851550
1-Methyl-4-(2-propan-2-ylsulfonylethyl)piperazine
CID 57992591
N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethane-1,2-diamine
CID 58283093
1-(2-Methylsulfonylethyl)-4-propan-2-ylpiperazine
CID 58515162

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine (CID 43581323) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine is CC(C)(CN)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine?
The InChIKey is YSPBVDWYXLWACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-8(2,7-9)10-3-5-13(11,12)6-4-10/h3-7,9H2,1-2H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine has a molecular weight of 206.31 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 43581323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).