(5,5-dioxo-5λ6-thiaspiro[2.3]hexan-2-yl)methanamine

C6H11NO2S — CID 84651273

IUPAC(5,5-dioxo-5λ6-thiaspiro[2.3]hexan-2-yl)methanamine
SMILESNCC1CC12CS(=O)(=O)C2
InChIInChI=1S/C6H11NO2S/c7-2-5-1-6(5)3-10(8,9)4-6/h5H,1-4,7H2
InChIKeyJWSKTYIZIXGQOS-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.62
Rot. Bonds1

About (5,5-dioxo-5λ6-thiaspiro[2.3]hexan-2-yl)methanamine

(5,5-dioxo-5λ6-thiaspiro[2.3]hexan-2-yl)methanamine (PubChem CID 84651273) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is (5,5-dioxo-5λ6-thiaspiro[2.3]hexan-2-yl)methanamine.

Molecular Properties

Compound Name(5,5-dioxo-5λ6-thiaspiro[2.3]hexan-2-yl)methanamine
PubChem CID84651273
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name(5,5-dioxo-5λ6-thiaspiro[2.3]hexan-2-yl)methanamine
SMILESNCC1CC12CS(=O)(=O)C2
InChIInChI=1S/C6H11NO2S/c7-2-5-1-6(5)3-10(8,9)4-6/h5H,1-4,7H2
InChIKeyJWSKTYIZIXGQOS-UHFFFAOYSA-N
XLogP-0.62
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5,5-dioxo-5λ6-thiaspiro[2.3]hexan-2-yl)methanamine?
The IUPAC name of (5,5-dioxo-5λ6-thiaspiro[2.3]hexan-2-yl)methanamine (CID 84651273) is (5,5-dioxo-5λ6-thiaspiro[2.3]hexan-2-yl)methanamine.
What is the SMILES notation for (5,5-dioxo-5λ6-thiaspiro[2.3]hexan-2-yl)methanamine?
The canonical SMILES for (5,5-dioxo-5λ6-thiaspiro[2.3]hexan-2-yl)methanamine is NCC1CC12CS(=O)(=O)C2.
What is the InChIKey of (5,5-dioxo-5λ6-thiaspiro[2.3]hexan-2-yl)methanamine?
The InChIKey is JWSKTYIZIXGQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c7-2-5-1-6(5)3-10(8,9)4-6/h5H,1-4,7H2.
What are the key properties of (5,5-dioxo-5λ6-thiaspiro[2.3]hexan-2-yl)methanamine?
(5,5-dioxo-5λ6-thiaspiro[2.3]hexan-2-yl)methanamine has a molecular weight of 161.23 g/mol, XLogP of -0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dioxo-5λ6-thiaspiro[2.3]hexan-2-yl)methanamine is sourced from PubChem (CID 84651273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).