1-(2-methylpropyl)-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine

C10H19N3O2S — CID 79497310

IUPAC1-(2-methylpropyl)-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCC(C)CN1C(N)=NCC12CCS(=O)(=O)C2
InChIInChI=1S/C10H19N3O2S/c1-8(2)5-13-9(11)12-6-10(13)3-4-16(14,15)7-10/h8H,3-7H2,1-2H3,(H2,11,12)
InChIKeyQAWXCWDOOOBBTE-UHFFFAOYSA-N
MW245.35 g/mol
LogP-0.17
Rot. Bonds2

About 1-(2-methylpropyl)-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine

1-(2-methylpropyl)-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine (PubChem CID 79497310) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-(2-methylpropyl)-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
PubChem CID79497310
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-(2-methylpropyl)-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCC(C)CN1C(N)=NCC12CCS(=O)(=O)C2
InChIInChI=1S/C10H19N3O2S/c1-8(2)5-13-9(11)12-6-10(13)3-4-16(14,15)7-10/h8H,3-7H2,1-2H3,(H2,11,12)
InChIKeyQAWXCWDOOOBBTE-UHFFFAOYSA-N
XLogP-0.17
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 1-(2-methylpropyl)-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine (CID 79497310) is 1-(2-methylpropyl)-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 1-(2-methylpropyl)-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 1-(2-methylpropyl)-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine is CC(C)CN1C(N)=NCC12CCS(=O)(=O)C2.
What is the InChIKey of 1-(2-methylpropyl)-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The InChIKey is QAWXCWDOOOBBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-8(2)5-13-9(11)12-6-10(13)3-4-16(14,15)7-10/h8H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of 1-(2-methylpropyl)-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
1-(2-methylpropyl)-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine has a molecular weight of 245.35 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 79497310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).