N-(4-methylsulfonylphenyl)-5-oxaspiro[3.5]nonan-8-amine

C15H21NO3S — CID 79898235

IUPACN-(4-methylsulfonylphenyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCS(=O)(=O)c1ccc(NC2CCOC3(CCC3)C2)cc1
InChIInChI=1S/C15H21NO3S/c1-20(17,18)14-5-3-12(4-6-14)16-13-7-10-19-15(11-13)8-2-9-15/h3-6,13,16H,2,7-11H2,1H3
InChIKeyBRWRFDUONCSULK-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.60
Rot. Bonds3

About N-(4-methylsulfonylphenyl)-5-oxaspiro[3.5]nonan-8-amine

N-(4-methylsulfonylphenyl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79898235) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79898235
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC NameN-(4-methylsulfonylphenyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCS(=O)(=O)c1ccc(NC2CCOC3(CCC3)C2)cc1
InChIInChI=1S/C15H21NO3S/c1-20(17,18)14-5-3-12(4-6-14)16-13-7-10-19-15(11-13)8-2-9-15/h3-6,13,16H,2,7-11H2,1H3
InChIKeyBRWRFDUONCSULK-UHFFFAOYSA-N
XLogP2.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylsulfonylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79902139
4-N,4-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,4-diamine
CID 79895553
N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898330
N-(4-propylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897977
4-N,4-N-dimethyl-1-N-(6-oxaspiro[4.5]decan-9-yl)benzene-1,4-diamine
CID 79895626
N-(4-nitrophenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 133377935
(4-methylsulfonylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783940
N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897456
N-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898455
N-(3-bromo-4-methylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903117
N-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903806
N-(2,3-dimethylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897570

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(4-methylsulfonylphenyl)-5-oxaspiro[3.5]nonan-8-amine (CID 79898235) is N-(4-methylsulfonylphenyl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(4-methylsulfonylphenyl)-5-oxaspiro[3.5]nonan-8-amine is CS(=O)(=O)c1ccc(NC2CCOC3(CCC3)C2)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is BRWRFDUONCSULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-20(17,18)14-5-3-12(4-6-14)16-13-7-10-19-15(11-13)8-2-9-15/h3-6,13,16H,2,7-11H2,1H3.
What are the key properties of N-(4-methylsulfonylphenyl)-5-oxaspiro[3.5]nonan-8-amine?
N-(4-methylsulfonylphenyl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 295.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79898235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).