N-(3-ethoxyspiro[3.3]heptan-1-yl)thiadiazol-5-amine

C11H17N3OS — CID 107649614

IUPACN-(3-ethoxyspiro[3.3]heptan-1-yl)thiadiazol-5-amine
SMILESCCOC1CC(Nc2cnns2)C12CCC2
InChIInChI=1S/C11H17N3OS/c1-2-15-9-6-8(11(9)4-3-5-11)13-10-7-12-14-16-10/h7-9,13H,2-6H2,1H3
InChIKeyVORBEZNNNWCDFM-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.30
Rot. Bonds4

About N-(3-ethoxyspiro[3.3]heptan-1-yl)thiadiazol-5-amine

N-(3-ethoxyspiro[3.3]heptan-1-yl)thiadiazol-5-amine (PubChem CID 107649614) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.3]heptan-1-yl)thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.3]heptan-1-yl)thiadiazol-5-amine
PubChem CID107649614
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-(3-ethoxyspiro[3.3]heptan-1-yl)thiadiazol-5-amine
SMILESCCOC1CC(Nc2cnns2)C12CCC2
InChIInChI=1S/C11H17N3OS/c1-2-15-9-6-8(11(9)4-3-5-11)13-10-7-12-14-16-10/h7-9,13H,2-6H2,1H3
InChIKeyVORBEZNNNWCDFM-UHFFFAOYSA-N
XLogP2.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)thiadiazol-5-amine?
The IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)thiadiazol-5-amine (CID 107649614) is N-(3-ethoxyspiro[3.3]heptan-1-yl)thiadiazol-5-amine.
What is the SMILES notation for N-(3-ethoxyspiro[3.3]heptan-1-yl)thiadiazol-5-amine?
The canonical SMILES for N-(3-ethoxyspiro[3.3]heptan-1-yl)thiadiazol-5-amine is CCOC1CC(Nc2cnns2)C12CCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.3]heptan-1-yl)thiadiazol-5-amine?
The InChIKey is VORBEZNNNWCDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-2-15-9-6-8(11(9)4-3-5-11)13-10-7-12-14-16-10/h7-9,13H,2-6H2,1H3.
What are the key properties of N-(3-ethoxyspiro[3.3]heptan-1-yl)thiadiazol-5-amine?
N-(3-ethoxyspiro[3.3]heptan-1-yl)thiadiazol-5-amine has a molecular weight of 239.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.3]heptan-1-yl)thiadiazol-5-amine is sourced from PubChem (CID 107649614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).