1-cycloheptyl-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

C14H25N3O2S — CID 79497715

IUPAC1-cycloheptyl-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCS(=O)(=O)CC2)N1C1CCCCCC1
InChIInChI=1S/C14H25N3O2S/c15-13-16-11-14(7-9-20(18,19)10-8-14)17(13)12-5-3-1-2-4-6-12/h12H,1-11H2,(H2,15,16)
InChIKeyJMUXVOALUUBRMK-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.29
Rot. Bonds1

About 1-cycloheptyl-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-cycloheptyl-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79497715) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-cycloheptyl-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79497715
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name1-cycloheptyl-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCS(=O)(=O)CC2)N1C1CCCCCC1
InChIInChI=1S/C14H25N3O2S/c15-13-16-11-14(7-9-20(18,19)10-8-14)17(13)12-5-3-1-2-4-6-12/h12H,1-11H2,(H2,15,16)
InChIKeyJMUXVOALUUBRMK-UHFFFAOYSA-N
XLogP1.29
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cycloheptyl-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine with MolForge

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Related Compounds

1-cyclopentyl-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79520591
1-cyclopropyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine
CID 79509216
1-cyclopentyl-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79521648
1-cycloheptyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79498945
1-cycloheptyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79496898
1-cyclopropyl-9-oxa-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79509973
1-cyclopentyl-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79520870
1-cyclopropyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498645
1-cyclopentyl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79520778
1-cycloheptyl-5-cyclopropyl-5-ethyl-4H-imidazol-2-amine
CID 79498255
1'-cycloheptylspiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine
CID 105366337
1-cyclopropyl-6-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 105404157

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-cycloheptyl-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79497715) is 1-cycloheptyl-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-cycloheptyl-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-cycloheptyl-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is NC1=NCC2(CCS(=O)(=O)CC2)N1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is JMUXVOALUUBRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c15-13-16-11-14(7-9-20(18,19)10-8-14)17(13)12-5-3-1-2-4-6-12/h12H,1-11H2,(H2,15,16).
What are the key properties of 1-cycloheptyl-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-cycloheptyl-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 299.44 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79497715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).