N-[3-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)phenyl]acetamide

C16H21N3OS — CID 115361118

IUPACN-[3-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC2=NCC3(CCCC3)CS2)c1
InChIInChI=1S/C16H21N3OS/c1-12(20)18-13-5-4-6-14(9-13)19-15-17-10-16(11-21-15)7-2-3-8-16/h4-6,9H,2-3,7-8,10-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyMHPBSWCVSJHELC-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.72
Rot. Bonds2

About N-[3-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)phenyl]acetamide

N-[3-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)phenyl]acetamide (PubChem CID 115361118) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[3-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)phenyl]acetamide
PubChem CID115361118
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-[3-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC2=NCC3(CCCC3)CS2)c1
InChIInChI=1S/C16H21N3OS/c1-12(20)18-13-5-4-6-14(9-13)19-15-17-10-16(11-21-15)7-2-3-8-16/h4-6,9H,2-3,7-8,10-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyMHPBSWCVSJHELC-UHFFFAOYSA-N
XLogP3.72
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-thia-1-azaspiro[4.4]non-1-en-2-ylamino)phenyl]acetamide
CID 62524825
N-(4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967612
N-(3-bromo-4-methoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361730
N-[3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 43439901
N-(3-fluoro-5-methylphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967962
N-(2,4,5-trichlorophenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361043
N-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetamide
CID 79508536
N-[3-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)phenyl]acetamide
CID 106362736
1-[3-[(5,5-dimethyl-4H-1,3-thiazol-2-yl)amino]phenyl]ethanone
CID 934675
N-(2,4,6-trifluorophenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361736
N-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]acetamide
CID 60898504
1-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethanone;hydrochloride
CID 67730537

Frequently Asked Questions

What is the IUPAC name of N-[3-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)phenyl]acetamide?
The IUPAC name of N-[3-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)phenyl]acetamide (CID 115361118) is N-[3-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)phenyl]acetamide.
What is the SMILES notation for N-[3-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)phenyl]acetamide?
The canonical SMILES for N-[3-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)phenyl]acetamide is CC(=O)Nc1cccc(NC2=NCC3(CCCC3)CS2)c1.
What is the InChIKey of N-[3-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)phenyl]acetamide?
The InChIKey is MHPBSWCVSJHELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-12(20)18-13-5-4-6-14(9-13)19-15-17-10-16(11-21-15)7-2-3-8-16/h4-6,9H,2-3,7-8,10-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[3-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)phenyl]acetamide?
N-[3-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)phenyl]acetamide has a molecular weight of 303.43 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)phenyl]acetamide is sourced from PubChem (CID 115361118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).