N-hexyl-1,1-dioxo-1,4-thiazinan-4-amine

C10H22N2O2S — CID 67486995

IUPACN-hexyl-1,1-dioxo-1,4-thiazinan-4-amine
SMILESCCCCCCNN1CCS(=O)(=O)CC1
InChIInChI=1S/C10H22N2O2S/c1-2-3-4-5-6-11-12-7-9-15(13,14)10-8-12/h11H,2-10H2,1H3
InChIKeyKODYNIZBQZNNLG-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.80
Rot. Bonds6

About N-hexyl-1,1-dioxo-1,4-thiazinan-4-amine

N-hexyl-1,1-dioxo-1,4-thiazinan-4-amine (PubChem CID 67486995) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-hexyl-1,1-dioxo-1,4-thiazinan-4-amine.

Molecular Properties

Compound NameN-hexyl-1,1-dioxo-1,4-thiazinan-4-amine
PubChem CID67486995
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-hexyl-1,1-dioxo-1,4-thiazinan-4-amine
SMILESCCCCCCNN1CCS(=O)(=O)CC1
InChIInChI=1S/C10H22N2O2S/c1-2-3-4-5-6-11-12-7-9-15(13,14)10-8-12/h11H,2-10H2,1H3
InChIKeyKODYNIZBQZNNLG-UHFFFAOYSA-N
XLogP0.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 175164558
N-octadecylaziridin-1-amine
CID 56627527
4-methyl-N-octylpiperazin-1-amine
CID 83010569
N-icosylpyrrolidin-1-amine
CID 23212585
N-pentadecylpiperazin-1-amine
CID 11690308
N-tetradecylmorpholin-4-amine;hydrobromide
CID 174875915
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]pentan-1-amine
CID 62568280
4-(2-aminoethyl)-N-tridecylpiperazin-1-amine
CID 175591304
4-butyl-1,4-thiazinane 1,1-dioxide;ethane
CID 143865715
4-(3-methylnonan-3-yl)-1,4-thiazinane 1,1-dioxide
CID 138503013
[2-oxo-2-(pentylamino)ethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
CID 55998436
N-octylpyrrol-1-amine
CID 69416123

Frequently Asked Questions

What is the IUPAC name of N-hexyl-1,1-dioxo-1,4-thiazinan-4-amine?
The IUPAC name of N-hexyl-1,1-dioxo-1,4-thiazinan-4-amine (CID 67486995) is N-hexyl-1,1-dioxo-1,4-thiazinan-4-amine.
What is the SMILES notation for N-hexyl-1,1-dioxo-1,4-thiazinan-4-amine?
The canonical SMILES for N-hexyl-1,1-dioxo-1,4-thiazinan-4-amine is CCCCCCNN1CCS(=O)(=O)CC1.
What is the InChIKey of N-hexyl-1,1-dioxo-1,4-thiazinan-4-amine?
The InChIKey is KODYNIZBQZNNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-2-3-4-5-6-11-12-7-9-15(13,14)10-8-12/h11H,2-10H2,1H3.
What are the key properties of N-hexyl-1,1-dioxo-1,4-thiazinan-4-amine?
N-hexyl-1,1-dioxo-1,4-thiazinan-4-amine has a molecular weight of 234.36 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-1,1-dioxo-1,4-thiazinan-4-amine is sourced from PubChem (CID 67486995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).