7-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,4-dioxaspiro[4.5]decan-8-amine

C11H17N3O3S — CID 64633291

IUPAC7-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCc1nnc(SC2CC3(CCC2N)OCCO3)o1
InChIInChI=1S/C11H17N3O3S/c1-7-13-14-10(17-7)18-9-6-11(3-2-8(9)12)15-4-5-16-11/h8-9H,2-6,12H2,1H3
InChIKeySMICDRSBXHZHMG-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.09
Rot. Bonds2

About 7-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,4-dioxaspiro[4.5]decan-8-amine

7-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 64633291) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 7-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID64633291
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name7-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCc1nnc(SC2CC3(CCC2N)OCCO3)o1
InChIInChI=1S/C11H17N3O3S/c1-7-13-14-10(17-7)18-9-6-11(3-2-8(9)12)15-4-5-16-11/h8-9H,2-6,12H2,1H3
InChIKeySMICDRSBXHZHMG-UHFFFAOYSA-N
XLogP1.09
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 64633291) is 7-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,4-dioxaspiro[4.5]decan-8-amine is Cc1nnc(SC2CC3(CCC2N)OCCO3)o1.
What is the InChIKey of 7-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is SMICDRSBXHZHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-7-13-14-10(17-7)18-9-6-11(3-2-8(9)12)15-4-5-16-11/h8-9H,2-6,12H2,1H3.
What are the key properties of 7-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,4-dioxaspiro[4.5]decan-8-amine?
7-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 271.34 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 64633291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).