N-(4-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

C16H23NOS — CID 79897869

IUPACN-(4-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESCCc1ccc(NC2CCOC3(CCSC3)C2)cc1
InChIInChI=1S/C16H23NOS/c1-2-13-3-5-14(6-4-13)17-15-7-9-18-16(11-15)8-10-19-12-16/h3-6,15,17H,2,7-12H2,1H3
InChIKeyKZMCZQGLJDZSTQ-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.72
Rot. Bonds3

About N-(4-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

N-(4-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 79897869) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-(4-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID79897869
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-(4-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESCCc1ccc(NC2CCOC3(CCSC3)C2)cc1
InChIInChI=1S/C16H23NOS/c1-2-13-3-5-14(6-4-13)17-15-7-9-18-16(11-15)8-10-19-12-16/h3-6,15,17H,2,7-12H2,1H3
InChIKeyKZMCZQGLJDZSTQ-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-methylsulfonylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79902139
4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzamide
CID 79897402
N-(3-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897455
N-(4-bromo-2-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 81293067
N-(4-chloro-3-methoxyphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107621556
N-(2,4-difluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898248
2-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzonitrile
CID 79898190
(5R,9R)-N-(2-ethylsulfonylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 125138409
N-(4-propylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897977
N-(4-fluoro-2-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903933

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-(4-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 79897869) is N-(4-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(4-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(4-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is CCc1ccc(NC2CCOC3(CCSC3)C2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is KZMCZQGLJDZSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-2-13-3-5-14(6-4-13)17-15-7-9-18-16(11-15)8-10-19-12-16/h3-6,15,17H,2,7-12H2,1H3.
What are the key properties of N-(4-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-(4-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 277.43 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79897869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).