4-amino-1-(cyclopropylmethyl)-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one

C13H21N3OS — CID 79985561

IUPAC4-amino-1-(cyclopropylmethyl)-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC1(C)CCSCC12C(N)=NC(=O)N2CC1CC1
InChIInChI=1S/C13H21N3OS/c1-12(2)5-6-18-8-13(12)10(14)15-11(17)16(13)7-9-3-4-9/h9H,3-8H2,1-2H3,(H2,14,15,17)
InChIKeyBFTFXVOVSXTTJD-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.09
Rot. Bonds2

About 4-amino-1-(cyclopropylmethyl)-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-1-(cyclopropylmethyl)-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79985561) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 4-amino-1-(cyclopropylmethyl)-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-(cyclopropylmethyl)-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79985561
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name4-amino-1-(cyclopropylmethyl)-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC1(C)CCSCC12C(N)=NC(=O)N2CC1CC1
InChIInChI=1S/C13H21N3OS/c1-12(2)5-6-18-8-13(12)10(14)15-11(17)16(13)7-9-3-4-9/h9H,3-8H2,1-2H3,(H2,14,15,17)
InChIKeyBFTFXVOVSXTTJD-UHFFFAOYSA-N
XLogP2.09
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(cyclopropylmethyl)-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-(cyclopropylmethyl)-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79985561) is 4-amino-1-(cyclopropylmethyl)-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-(cyclopropylmethyl)-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-(cyclopropylmethyl)-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one is CC1(C)CCSCC12C(N)=NC(=O)N2CC1CC1.
What is the InChIKey of 4-amino-1-(cyclopropylmethyl)-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is BFTFXVOVSXTTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-12(2)5-6-18-8-13(12)10(14)15-11(17)16(13)7-9-3-4-9/h9H,3-8H2,1-2H3,(H2,14,15,17).
What are the key properties of 4-amino-1-(cyclopropylmethyl)-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-(cyclopropylmethyl)-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 267.40 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(cyclopropylmethyl)-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79985561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).