2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;hydrochloride

C6H15ClN2O2S — CID 2760617

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;hydrochloride
SMILESCl.NCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C6H14N2O2S.ClH/c7-1-2-8-3-5-11(9,10)6-4-8;/h1-7H2;1H
InChIKeyTUCQOXXBUNWAJT-UHFFFAOYSA-N
MW214.72 g/mol
LogP-0.90
Rot. Bonds2

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;hydrochloride

2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;hydrochloride (PubChem CID 2760617) has the molecular formula C6H15ClN2O2S and a molecular weight of 214.72 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;hydrochloride
PubChem CID2760617
Molecular FormulaC6H15ClN2O2S
Molecular Weight214.72 g/mol
Exact Mass214.05
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;hydrochloride
SMILESCl.NCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C6H14N2O2S.ClH/c7-1-2-8-3-5-11(9,10)6-4-8;/h1-7H2;1H
InChIKeyTUCQOXXBUNWAJT-UHFFFAOYSA-N
XLogP-0.90
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thiomorpholine 1,1-dioxide
CID 6484228
1-(2-Methanesulfonylethyl)piperazine dihydrochloride
CID 17749885
4-(2-Aminoethyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 2760618
Thiomorpholine 1,1-dioxide hydrochloride
CID 12324096
4-(2-Aminoethyl)thiomorpholine 1,1-dioxide dihydrochloride
CID 43810718
2-(Piperazin-1-yl)ethane-1-sulfonamide
CID 54595802
1-(2-(Methylsulfonyl)ethyl)piperazine
CID 3801959
4-(2-Aminoethyl)-1lambda4-thiomorpholin-1-one dihydrochloride
CID 54595991
sodium N-piperazineethanesulfonate
CID 23377615
4-(2-Aminoethyl)-1lambda4-thiomorpholin-1-one
CID 24728621
4-(3-Aminopropyl)-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 71758161
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62560794

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;hydrochloride (CID 2760617) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;hydrochloride is Cl.NCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;hydrochloride?
The InChIKey is TUCQOXXBUNWAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S.ClH/c7-1-2-8-3-5-11(9,10)6-4-8;/h1-7H2;1H.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;hydrochloride?
2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;hydrochloride has a molecular weight of 214.72 g/mol, XLogP of -0.90, 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)ethanamine;hydrochloride is sourced from PubChem (CID 2760617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).