N-[3-(3-thia-1-azaspiro[4.4]non-1-en-2-ylamino)phenyl]acetamide

C15H19N3OS — CID 62524825

IUPACN-[3-(3-thia-1-azaspiro[4.4]non-1-en-2-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC2=NC3(CCCC3)CS2)c1
InChIInChI=1S/C15H19N3OS/c1-11(19)16-12-5-4-6-13(9-12)17-14-18-15(10-20-14)7-2-3-8-15/h4-6,9H,2-3,7-8,10H2,1H3,(H,16,19)(H,17,18)
InChIKeyUGXLNRPRIMRQPM-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.47
Rot. Bonds2

About N-[3-(3-thia-1-azaspiro[4.4]non-1-en-2-ylamino)phenyl]acetamide

N-[3-(3-thia-1-azaspiro[4.4]non-1-en-2-ylamino)phenyl]acetamide (PubChem CID 62524825) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[3-(3-thia-1-azaspiro[4.4]non-1-en-2-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-thia-1-azaspiro[4.4]non-1-en-2-ylamino)phenyl]acetamide
PubChem CID62524825
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[3-(3-thia-1-azaspiro[4.4]non-1-en-2-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC2=NC3(CCCC3)CS2)c1
InChIInChI=1S/C15H19N3OS/c1-11(19)16-12-5-4-6-13(9-12)17-14-18-15(10-20-14)7-2-3-8-15/h4-6,9H,2-3,7-8,10H2,1H3,(H,16,19)(H,17,18)
InChIKeyUGXLNRPRIMRQPM-UHFFFAOYSA-N
XLogP3.47
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)phenyl]acetamide
CID 115361118
N-[3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 43439901
N-[3-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)phenyl]acetamide
CID 106362736
7-methyl-N-(3-propan-2-ylphenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527659
N-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]acetamide
CID 60898504
N-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetamide
CID 79508536
N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866710
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527626
N-(2-bromo-6-fluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 107601465
N-[3-[(2,2-dimethylcyclopentyl)amino]phenyl]acetamide
CID 79864740
N-[3-(methoxymethyl)phenyl]-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527844
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-thia-1-azaspiro[4.4]non-1-en-2-ylamino)phenyl]acetamide?
The IUPAC name of N-[3-(3-thia-1-azaspiro[4.4]non-1-en-2-ylamino)phenyl]acetamide (CID 62524825) is N-[3-(3-thia-1-azaspiro[4.4]non-1-en-2-ylamino)phenyl]acetamide.
What is the SMILES notation for N-[3-(3-thia-1-azaspiro[4.4]non-1-en-2-ylamino)phenyl]acetamide?
The canonical SMILES for N-[3-(3-thia-1-azaspiro[4.4]non-1-en-2-ylamino)phenyl]acetamide is CC(=O)Nc1cccc(NC2=NC3(CCCC3)CS2)c1.
What is the InChIKey of N-[3-(3-thia-1-azaspiro[4.4]non-1-en-2-ylamino)phenyl]acetamide?
The InChIKey is UGXLNRPRIMRQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11(19)16-12-5-4-6-13(9-12)17-14-18-15(10-20-14)7-2-3-8-15/h4-6,9H,2-3,7-8,10H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-(3-thia-1-azaspiro[4.4]non-1-en-2-ylamino)phenyl]acetamide?
N-[3-(3-thia-1-azaspiro[4.4]non-1-en-2-ylamino)phenyl]acetamide has a molecular weight of 289.40 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-thia-1-azaspiro[4.4]non-1-en-2-ylamino)phenyl]acetamide is sourced from PubChem (CID 62524825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).