N-(3-methylsulfonylphenyl)tricyclo[5.2.1.02,6]decan-8-amine

C17H23NO2S — CID 60923902

IUPACN-(3-methylsulfonylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCS(=O)(=O)c1cccc(NC2CC3CC2C2CCCC32)c1
InChIInChI=1S/C17H23NO2S/c1-21(19,20)13-5-2-4-12(10-13)18-17-9-11-8-16(17)15-7-3-6-14(11)15/h2,4-5,10-11,14-18H,3,6-9H2,1H3
InChIKeyZTMBYFDZPFOYBM-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.33
Rot. Bonds3

About N-(3-methylsulfonylphenyl)tricyclo[5.2.1.02,6]decan-8-amine

N-(3-methylsulfonylphenyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 60923902) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID60923902
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC NameN-(3-methylsulfonylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCS(=O)(=O)c1cccc(NC2CC3CC2C2CCCC32)c1
InChIInChI=1S/C17H23NO2S/c1-21(19,20)13-5-2-4-12(10-13)18-17-9-11-8-16(17)15-7-3-6-14(11)15/h2,4-5,10-11,14-18H,3,6-9H2,1H3
InChIKeyZTMBYFDZPFOYBM-UHFFFAOYSA-N
XLogP3.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 79536883
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N-(3-fluoro-4-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43503194
N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine
CID 43503205
N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43503174
N-(3-methylsulfonylphenyl)spiro[4.5]decan-8-amine
CID 114817465
2-chloro-1-N,1-N-dimethyl-4-N-(8-tricyclo[5.2.1.02,6]decanyl)benzene-1,4-diamine
CID 63451178
5-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridin-3-amine
CID 107584885
N-(3-methylsulfonylphenyl)pyrrolidin-3-amine
CID 79730618
N-(4-bromo-3-nitrophenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 79760146
3-(methylsulfonylmethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43066743
2-fluoro-5-(8-tricyclo[5.2.1.02,6]decanylamino)benzonitrile
CID 63477105

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-(3-methylsulfonylphenyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 60923902) is N-(3-methylsulfonylphenyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-(3-methylsulfonylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-(3-methylsulfonylphenyl)tricyclo[5.2.1.02,6]decan-8-amine is CS(=O)(=O)c1cccc(NC2CC3CC2C2CCCC32)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is ZTMBYFDZPFOYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-21(19,20)13-5-2-4-12(10-13)18-17-9-11-8-16(17)15-7-3-6-14(11)15/h2,4-5,10-11,14-18H,3,6-9H2,1H3.
What are the key properties of N-(3-methylsulfonylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
N-(3-methylsulfonylphenyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 305.44 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 60923902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).