2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]ethanamine

C11H23N3O2S — CID 63632366

IUPAC2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]ethanamine
SMILESNCCN1CCC(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C11H23N3O2S/c12-3-6-13-4-1-11(2-5-13)14-7-9-17(15,16)10-8-14/h11H,1-10,12H2
InChIKeyUBKHPSFFHQAUBL-UHFFFAOYSA-N
MW261.39 g/mol
LogP-0.86
Rot. Bonds3

About 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]ethanamine

2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]ethanamine (PubChem CID 63632366) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]ethanamine
PubChem CID63632366
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]ethanamine
SMILESNCCN1CCC(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C11H23N3O2S/c12-3-6-13-4-1-11(2-5-13)14-7-9-17(15,16)10-8-14/h11H,1-10,12H2
InChIKeyUBKHPSFFHQAUBL-UHFFFAOYSA-N
XLogP-0.86
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-propylpiperidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 91401399
4-[1-[2-(2-methylpropylsulfanyl)ethyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 146081004
2-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)piperidin-1-yl]ethanamine
CID 117044503
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)piperidin-1-yl]ethanamine
CID 117044687
2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 45157083
4-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 91662509
4-piperidin-4-yl-1,4-thiazinane 1,1-dioxide;dihydrochloride
CID 71758395
4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine
CID 61216652
2-[4-(thiolan-3-yl)piperazin-1-yl]ethanamine
CID 121201869
4-(4-tert-butylcyclohexyl)-1,4-thiazinane 1,1-dioxide
CID 58394776
1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]butane-1,3-dione
CID 110183051
2-(6-methyl-1,1-dioxo-1,4-thiazepan-4-yl)ethanamine
CID 155393369

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]ethanamine (CID 63632366) is 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]ethanamine is NCCN1CCC(N2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]ethanamine?
The InChIKey is UBKHPSFFHQAUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c12-3-6-13-4-1-11(2-5-13)14-7-9-17(15,16)10-8-14/h11H,1-10,12H2.
What are the key properties of 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]ethanamine?
2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]ethanamine has a molecular weight of 261.39 g/mol, XLogP of -0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 63632366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).