[4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-ethylpiperidin-4-yl]methanamine

C12H25N3O2S — CID 43581318

IUPAC[4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-ethylpiperidin-4-yl]methanamine
SMILESCCN1CCC(CN)(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C12H25N3O2S/c1-2-14-5-3-12(11-13,4-6-14)15-7-9-18(16,17)10-8-15/h2-11,13H2,1H3
InChIKeyYFTCISVPTZZOGF-UHFFFAOYSA-N
MW275.42 g/mol
LogP-0.47
Rot. Bonds3

About [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-ethylpiperidin-4-yl]methanamine

[4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-ethylpiperidin-4-yl]methanamine (PubChem CID 43581318) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-ethylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-ethylpiperidin-4-yl]methanamine
PubChem CID43581318
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name[4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-ethylpiperidin-4-yl]methanamine
SMILESCCN1CCC(CN)(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C12H25N3O2S/c1-2-14-5-3-12(11-13,4-6-14)15-7-9-18(16,17)10-8-15/h2-11,13H2,1H3
InChIKeyYFTCISVPTZZOGF-UHFFFAOYSA-N
XLogP-0.47
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-ethylpiperidin-4-yl]methanamine?
The IUPAC name of [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-ethylpiperidin-4-yl]methanamine (CID 43581318) is [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-ethylpiperidin-4-yl]methanamine.
What is the SMILES notation for [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-ethylpiperidin-4-yl]methanamine?
The canonical SMILES for [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-ethylpiperidin-4-yl]methanamine is CCN1CCC(CN)(N2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-ethylpiperidin-4-yl]methanamine?
The InChIKey is YFTCISVPTZZOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-2-14-5-3-12(11-13,4-6-14)15-7-9-18(16,17)10-8-15/h2-11,13H2,1H3.
What are the key properties of [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-ethylpiperidin-4-yl]methanamine?
[4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-ethylpiperidin-4-yl]methanamine has a molecular weight of 275.42 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-ethylpiperidin-4-yl]methanamine is sourced from PubChem (CID 43581318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).