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

C10H20N2O2S — CID 43581319

IUPAC[1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentyl]methanamine
SMILESNCC1(N2CCS(=O)(=O)CC2)CCCC1
InChIInChI=1S/C10H20N2O2S/c11-9-10(3-1-2-4-10)12-5-7-15(13,14)8-6-12/h1-9,11H2
InChIKeyPEKGUELMDMNOTR-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.01
Rot. Bonds2

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

[1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentyl]methanamine (PubChem CID 43581319) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is [1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentyl]methanamine
PubChem CID43581319
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name[1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentyl]methanamine
SMILESNCC1(N2CCS(=O)(=O)CC2)CCCC1
InChIInChI=1S/C10H20N2O2S/c11-9-10(3-1-2-4-10)12-5-7-15(13,14)8-6-12/h1-9,11H2
InChIKeyPEKGUELMDMNOTR-UHFFFAOYSA-N
XLogP-0.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentyl]methanamine (CID 43581319) is [1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentyl]methanamine is NCC1(N2CCS(=O)(=O)CC2)CCCC1.
What is the InChIKey of [1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentyl]methanamine?
The InChIKey is PEKGUELMDMNOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c11-9-10(3-1-2-4-10)12-5-7-15(13,14)8-6-12/h1-9,11H2.
What are the key properties of [1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentyl]methanamine?
[1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentyl]methanamine has a molecular weight of 232.35 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentyl]methanamine is sourced from PubChem (CID 43581319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).