2-N,2-N-dimethyl-1-N-(3-thia-1-azaspiro[4.5]dec-1-en-2-yl)benzene-1,2-diamine

C16H23N3S — CID 106760311

IUPAC2-N,2-N-dimethyl-1-N-(3-thia-1-azaspiro[4.5]dec-1-en-2-yl)benzene-1,2-diamine
SMILESCN(C)c1ccccc1NC1=NC2(CCCCC2)CS1
InChIInChI=1S/C16H23N3S/c1-19(2)14-9-5-4-8-13(14)17-15-18-16(12-20-15)10-6-3-7-11-16/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,17,18)
InChIKeyVNHQESATXYOJLS-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.97
Rot. Bonds2

About 2-N,2-N-dimethyl-1-N-(3-thia-1-azaspiro[4.5]dec-1-en-2-yl)benzene-1,2-diamine

2-N,2-N-dimethyl-1-N-(3-thia-1-azaspiro[4.5]dec-1-en-2-yl)benzene-1,2-diamine (PubChem CID 106760311) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-(3-thia-1-azaspiro[4.5]dec-1-en-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-(3-thia-1-azaspiro[4.5]dec-1-en-2-yl)benzene-1,2-diamine
PubChem CID106760311
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name2-N,2-N-dimethyl-1-N-(3-thia-1-azaspiro[4.5]dec-1-en-2-yl)benzene-1,2-diamine
SMILESCN(C)c1ccccc1NC1=NC2(CCCCC2)CS1
InChIInChI=1S/C16H23N3S/c1-19(2)14-9-5-4-8-13(14)17-15-18-16(12-20-15)10-6-3-7-11-16/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,17,18)
InChIKeyVNHQESATXYOJLS-UHFFFAOYSA-N
XLogP3.97
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-(3-thia-1-azaspiro[4.5]dec-1-en-2-yl)benzene-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-(3-thia-1-azaspiro[4.5]dec-1-en-2-yl)benzene-1,2-diamine (CID 106760311) is 2-N,2-N-dimethyl-1-N-(3-thia-1-azaspiro[4.5]dec-1-en-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-(3-thia-1-azaspiro[4.5]dec-1-en-2-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-(3-thia-1-azaspiro[4.5]dec-1-en-2-yl)benzene-1,2-diamine is CN(C)c1ccccc1NC1=NC2(CCCCC2)CS1.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-(3-thia-1-azaspiro[4.5]dec-1-en-2-yl)benzene-1,2-diamine?
The InChIKey is VNHQESATXYOJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-19(2)14-9-5-4-8-13(14)17-15-18-16(12-20-15)10-6-3-7-11-16/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,17,18).
What are the key properties of 2-N,2-N-dimethyl-1-N-(3-thia-1-azaspiro[4.5]dec-1-en-2-yl)benzene-1,2-diamine?
2-N,2-N-dimethyl-1-N-(3-thia-1-azaspiro[4.5]dec-1-en-2-yl)benzene-1,2-diamine has a molecular weight of 289.45 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-(3-thia-1-azaspiro[4.5]dec-1-en-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 106760311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).