(7,7-dioxo-1,4-dioxa-7λ6-thiaspiro[4.4]nonan-3-yl)methanamine

C7H13NO4S — CID 82775424

IUPAC(7,7-dioxo-1,4-dioxa-7λ6-thiaspiro[4.4]nonan-3-yl)methanamine
SMILESNCC1COC2(CCS(=O)(=O)C2)O1
InChIInChI=1S/C7H13NO4S/c8-3-6-4-11-7(12-6)1-2-13(9,10)5-7/h6H,1-5,8H2
InChIKeyNWELEEOMLMLDBK-UHFFFAOYSA-N
MW207.25 g/mol
LogP-1.12
Rot. Bonds1

About (7,7-dioxo-1,4-dioxa-7λ6-thiaspiro[4.4]nonan-3-yl)methanamine

(7,7-dioxo-1,4-dioxa-7λ6-thiaspiro[4.4]nonan-3-yl)methanamine (PubChem CID 82775424) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is (7,7-dioxo-1,4-dioxa-7λ6-thiaspiro[4.4]nonan-3-yl)methanamine.

Molecular Properties

Compound Name(7,7-dioxo-1,4-dioxa-7λ6-thiaspiro[4.4]nonan-3-yl)methanamine
PubChem CID82775424
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name(7,7-dioxo-1,4-dioxa-7λ6-thiaspiro[4.4]nonan-3-yl)methanamine
SMILESNCC1COC2(CCS(=O)(=O)C2)O1
InChIInChI=1S/C7H13NO4S/c8-3-6-4-11-7(12-6)1-2-13(9,10)5-7/h6H,1-5,8H2
InChIKeyNWELEEOMLMLDBK-UHFFFAOYSA-N
XLogP-1.12
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7,7-dioxo-1,4-dioxa-7λ6-thiaspiro[4.4]nonan-3-yl)methanamine?
The IUPAC name of (7,7-dioxo-1,4-dioxa-7λ6-thiaspiro[4.4]nonan-3-yl)methanamine (CID 82775424) is (7,7-dioxo-1,4-dioxa-7λ6-thiaspiro[4.4]nonan-3-yl)methanamine.
What is the SMILES notation for (7,7-dioxo-1,4-dioxa-7λ6-thiaspiro[4.4]nonan-3-yl)methanamine?
The canonical SMILES for (7,7-dioxo-1,4-dioxa-7λ6-thiaspiro[4.4]nonan-3-yl)methanamine is NCC1COC2(CCS(=O)(=O)C2)O1.
What is the InChIKey of (7,7-dioxo-1,4-dioxa-7λ6-thiaspiro[4.4]nonan-3-yl)methanamine?
The InChIKey is NWELEEOMLMLDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c8-3-6-4-11-7(12-6)1-2-13(9,10)5-7/h6H,1-5,8H2.
What are the key properties of (7,7-dioxo-1,4-dioxa-7λ6-thiaspiro[4.4]nonan-3-yl)methanamine?
(7,7-dioxo-1,4-dioxa-7λ6-thiaspiro[4.4]nonan-3-yl)methanamine has a molecular weight of 207.25 g/mol, XLogP of -1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-dioxo-1,4-dioxa-7λ6-thiaspiro[4.4]nonan-3-yl)methanamine is sourced from PubChem (CID 82775424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).