5-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylpentan-1-amine

C11H24N2O2S — CID 65254132

IUPAC5-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylpentan-1-amine
SMILESCC(C)(CN)CCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C11H24N2O2S/c1-11(2,10-12)4-3-5-13-6-8-16(14,15)9-7-13/h3-10,12H2,1-2H3
InChIKeyVFEWYRBZEIOMCC-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.48
Rot. Bonds5

About 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylpentan-1-amine

5-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylpentan-1-amine (PubChem CID 65254132) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylpentan-1-amine
PubChem CID65254132
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name5-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylpentan-1-amine
SMILESCC(C)(CN)CCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C11H24N2O2S/c1-11(2,10-12)4-3-5-13-6-8-16(14,15)9-7-13/h3-10,12H2,1-2H3
InChIKeyVFEWYRBZEIOMCC-UHFFFAOYSA-N
XLogP0.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylbutan-1-amine
CID 65247199
6-(1,1-dioxo-1,4-thiazepan-4-yl)-2,2-dimethylhexan-1-amine
CID 114083387
2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
CID 65256580
5-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063823
5-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpentan-1-amine
CID 65254542
6-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710744
4-butyl-1,4-thiazinane 1,1-dioxide;ethane
CID 143865715
5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine
CID 65254432
6-(4-ethylpiperidin-1-yl)-2,2-dimethylhexan-1-amine
CID 106707970
4-(azepan-1-yl)-2,2-dimethylbutan-1-amine
CID 65249592
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbutan-1-amine
CID 60840838
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62560247

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylpentan-1-amine (CID 65254132) is 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylpentan-1-amine is CC(C)(CN)CCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylpentan-1-amine?
The InChIKey is VFEWYRBZEIOMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-11(2,10-12)4-3-5-13-6-8-16(14,15)9-7-13/h3-10,12H2,1-2H3.
What are the key properties of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylpentan-1-amine?
5-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylpentan-1-amine has a molecular weight of 248.39 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 65254132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).