2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-ol

C13H28N2O3S — CID 102887322

IUPAC2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-ol
SMILESCNC(C)(CO)CCCCN1CCS(=O)(=O)CC1C
InChIInChI=1S/C13H28N2O3S/c1-12-10-19(17,18)9-8-15(12)7-5-4-6-13(2,11-16)14-3/h12,14,16H,4-11H2,1-3H3
InChIKeyRKGSSZYWCNKFIR-UHFFFAOYSA-N
MW292.44 g/mol
LogP0.25
Rot. Bonds7

About 2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-ol

2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-ol (PubChem CID 102887322) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-ol
PubChem CID102887322
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-ol
SMILESCNC(C)(CO)CCCCN1CCS(=O)(=O)CC1C
InChIInChI=1S/C13H28N2O3S/c1-12-10-19(17,18)9-8-15(12)7-5-4-6-13(2,11-16)14-3/h12,14,16H,4-11H2,1-3H3
InChIKeyRKGSSZYWCNKFIR-UHFFFAOYSA-N
XLogP0.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-ol (CID 102887322) is 2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-ol is CNC(C)(CO)CCCCN1CCS(=O)(=O)CC1C.
What is the InChIKey of 2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-ol?
The InChIKey is RKGSSZYWCNKFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-12-10-19(17,18)9-8-15(12)7-5-4-6-13(2,11-16)14-3/h12,14,16H,4-11H2,1-3H3.
What are the key properties of 2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-ol?
2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-ol has a molecular weight of 292.44 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-ol is sourced from PubChem (CID 102887322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).