4-amino-7,7-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one

C9H15N3OS — CID 79962097

IUPAC4-amino-7,7-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC1(C)CSCC2(C1)NC(=O)N=C2N
InChIInChI=1S/C9H15N3OS/c1-8(2)3-9(5-14-4-8)6(10)11-7(13)12-9/h3-5H2,1-2H3,(H3,10,11,12,13)
InChIKeyDPNXJNPRGFWJMS-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.97
Rot. Bonds

About 4-amino-7,7-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-7,7-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79962097) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 4-amino-7,7-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-7,7-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79962097
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name4-amino-7,7-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC1(C)CSCC2(C1)NC(=O)N=C2N
InChIInChI=1S/C9H15N3OS/c1-8(2)3-9(5-14-4-8)6(10)11-7(13)12-9/h3-5H2,1-2H3,(H3,10,11,12,13)
InChIKeyDPNXJNPRGFWJMS-UHFFFAOYSA-N
XLogP0.97
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7,7-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-7,7-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79962097) is 4-amino-7,7-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-7,7-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-7,7-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one is CC1(C)CSCC2(C1)NC(=O)N=C2N.
What is the InChIKey of 4-amino-7,7-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is DPNXJNPRGFWJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-8(2)3-9(5-14-4-8)6(10)11-7(13)12-9/h3-5H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 4-amino-7,7-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-7,7-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 213.31 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7,7-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79962097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).