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

C14H23N3O2S2 — CID 64649264

IUPAC7-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCNC1CCC2(CC1Sc1nnc(C)s1)OCCO2
InChIInChI=1S/C14H23N3O2S2/c1-3-6-15-11-4-5-14(18-7-8-19-14)9-12(11)21-13-17-16-10(2)20-13/h11-12,15H,3-9H2,1-2H3
InChIKeyPMWNMGFHKHKXDJ-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.60
Rot. Bonds5

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

7-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 64649264) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 7-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID64649264
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC Name7-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCNC1CCC2(CC1Sc1nnc(C)s1)OCCO2
InChIInChI=1S/C14H23N3O2S2/c1-3-6-15-11-4-5-14(18-7-8-19-14)9-12(11)21-13-17-16-10(2)20-13/h11-12,15H,3-9H2,1-2H3
InChIKeyPMWNMGFHKHKXDJ-UHFFFAOYSA-N
XLogP2.60
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.60
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-thiadiazol-2-yl)sulfanyl]-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 64649264) is 7-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine is CCCNC1CCC2(CC1Sc1nnc(C)s1)OCCO2.
What is the InChIKey of 7-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is PMWNMGFHKHKXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-3-6-15-11-4-5-14(18-7-8-19-14)9-12(11)21-13-17-16-10(2)20-13/h11-12,15H,3-9H2,1-2H3.
What are the key properties of 7-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine?
7-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 329.49 g/mol, XLogP of 2.60, 5 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-thiadiazol-2-yl)sulfanyl]-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 64649264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).