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

C8H18N2O2S — CID 62633303

IUPAC1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-2-amine
SMILESCNC(C)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H18N2O2S/c1-8(9-2)7-10-3-5-13(11,12)6-4-10/h8-9H,3-7H2,1-2H3
InChIKeyNBQCMIUCGVNWAO-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.68
Rot. Bonds3

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

1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-2-amine (PubChem CID 62633303) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-2-amine
PubChem CID62633303
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-2-amine
SMILESCNC(C)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H18N2O2S/c1-8(9-2)7-10-3-5-13(11,12)6-4-10/h8-9H,3-7H2,1-2H3
InChIKeyNBQCMIUCGVNWAO-UHFFFAOYSA-N
XLogP-0.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-2-amine (CID 62633303) is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-2-amine is CNC(C)CN1CCS(=O)(=O)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-2-amine?
The InChIKey is NBQCMIUCGVNWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-8(9-2)7-10-3-5-13(11,12)6-4-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-2-amine?
1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-2-amine has a molecular weight of 206.31 g/mol, XLogP of -0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 62633303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).