1-propyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

C10H19N3S — CID 79509309

IUPAC1-propyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCCN1C(N)=NCC12CCCSC2
InChIInChI=1S/C10H19N3S/c1-2-5-13-9(11)12-7-10(13)4-3-6-14-8-10/h2-8H2,1H3,(H2,11,12)
InChIKeyJZULOZLIPCHPGG-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.29
Rot. Bonds2

About 1-propyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-propyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79509309) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-propyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-propyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79509309
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name1-propyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCCN1C(N)=NCC12CCCSC2
InChIInChI=1S/C10H19N3S/c1-2-5-13-9(11)12-7-10(13)4-3-6-14-8-10/h2-8H2,1H3,(H2,11,12)
InChIKeyJZULOZLIPCHPGG-UHFFFAOYSA-N
XLogP1.29
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-propyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79509309) is 1-propyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-propyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-propyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is CCCN1C(N)=NCC12CCCSC2.
What is the InChIKey of 1-propyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is JZULOZLIPCHPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-2-5-13-9(11)12-7-10(13)4-3-6-14-8-10/h2-8H2,1H3,(H2,11,12).
What are the key properties of 1-propyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-propyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 213.35 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79509309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).