4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzamide

C15H20N2O2S — CID 79897402

IUPAC4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzamide
SMILESNC(=O)c1ccc(NC2CCOC3(CCSC3)C2)cc1
InChIInChI=1S/C15H20N2O2S/c16-14(18)11-1-3-12(4-2-11)17-13-5-7-19-15(9-13)6-8-20-10-15/h1-4,13,17H,5-10H2,(H2,16,18)
InChIKeySEXZJOQTIFAMMZ-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.25
Rot. Bonds3

About 4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzamide

4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzamide (PubChem CID 79897402) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzamide.

Molecular Properties

Compound Name4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzamide
PubChem CID79897402
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzamide
SMILESNC(=O)c1ccc(NC2CCOC3(CCSC3)C2)cc1
InChIInChI=1S/C15H20N2O2S/c16-14(18)11-1-3-12(4-2-11)17-13-5-7-19-15(9-13)6-8-20-10-15/h1-4,13,17H,5-10H2,(H2,16,18)
InChIKeySEXZJOQTIFAMMZ-UHFFFAOYSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897787
N-(4-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897657
N-(4-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897869
N-(4-methylsulfonylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79902139
N-(3-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897455
2-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzonitrile
CID 79898190
N-(4-chloro-3-methoxyphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107621556
2-nitro-5-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]benzonitrile
CID 124603955
N-(2,4-difluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898248
N-(3-methylphenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79897685
4-(cyclopropylamino)benzamide
CID 103605968
N-(2-fluoro-5-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897505

Frequently Asked Questions

What is the IUPAC name of 4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzamide?
The IUPAC name of 4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzamide (CID 79897402) is 4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzamide.
What is the SMILES notation for 4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzamide?
The canonical SMILES for 4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzamide is NC(=O)c1ccc(NC2CCOC3(CCSC3)C2)cc1.
What is the InChIKey of 4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzamide?
The InChIKey is SEXZJOQTIFAMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c16-14(18)11-1-3-12(4-2-11)17-13-5-7-19-15(9-13)6-8-20-10-15/h1-4,13,17H,5-10H2,(H2,16,18).
What are the key properties of 4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzamide?
4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzamide has a molecular weight of 292.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzamide is sourced from PubChem (CID 79897402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).