3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-amine

C10H20N2O2S — CID 66010079

IUPAC3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-amine
SMILESNC1CCC(CN2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C10H20N2O2S/c11-10-2-1-9(7-10)8-12-3-5-15(13,14)6-4-12/h9-10H,1-8,11H2
InChIKeyDXFDWCXUOAFPCB-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.16
Rot. Bonds2

About 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-amine

3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-amine (PubChem CID 66010079) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-amine
PubChem CID66010079
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-amine
SMILESNC1CCC(CN2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C10H20N2O2S/c11-10-2-1-9(7-10)8-12-3-5-15(13,14)6-4-12/h9-10H,1-8,11H2
InChIKeyDXFDWCXUOAFPCB-UHFFFAOYSA-N
XLogP-0.16
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 ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-amine (CID 66010079) is 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-amine is NC1CCC(CN2CCS(=O)(=O)CC2)C1.
What is the InChIKey of 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-amine?
The InChIKey is DXFDWCXUOAFPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c11-10-2-1-9(7-10)8-12-3-5-15(13,14)6-4-12/h9-10H,1-8,11H2.
What are the key properties of 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-amine?
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-amine has a molecular weight of 232.35 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 66010079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).