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

C10H19N3S — CID 79498187

IUPAC1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)N1C(N)=NCC12CCCSC2
InChIInChI=1S/C10H19N3S/c1-8(2)13-9(11)12-6-10(13)4-3-5-14-7-10/h8H,3-7H2,1-2H3,(H2,11,12)
InChIKeyBKPDKCZUSCPZOT-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.29
Rot. Bonds1

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

1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79498187) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79498187
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)N1C(N)=NCC12CCCSC2
InChIInChI=1S/C10H19N3S/c1-8(2)13-9(11)12-6-10(13)4-3-5-14-7-10/h8H,3-7H2,1-2H3,(H2,11,12)
InChIKeyBKPDKCZUSCPZOT-UHFFFAOYSA-N
XLogP1.29
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
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

Analyze 1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79498187) is 1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC(C)N1C(N)=NCC12CCCSC2.
What is the InChIKey of 1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is BKPDKCZUSCPZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-8(2)13-9(11)12-6-10(13)4-3-5-14-7-10/h8H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of 1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-propan-2-yl-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, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79498187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).