N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonylmethyl)phenyl]methanamine

C15H22N2O3S — CID 66372096

IUPACN-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonylmethyl)phenyl]methanamine
SMILESCNCc1cccc(CS(=O)(=O)N2CC3CCC(C2)O3)c1
InChIInChI=1S/C15H22N2O3S/c1-16-8-12-3-2-4-13(7-12)11-21(18,19)17-9-14-5-6-15(10-17)20-14/h2-4,7,14-16H,5-6,8-11H2,1H3
InChIKeyKQIFPTAQSHHBOJ-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.10
Rot. Bonds5

About N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonylmethyl)phenyl]methanamine

N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonylmethyl)phenyl]methanamine (PubChem CID 66372096) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonylmethyl)phenyl]methanamine
PubChem CID66372096
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonylmethyl)phenyl]methanamine
SMILESCNCc1cccc(CS(=O)(=O)N2CC3CCC(C2)O3)c1
InChIInChI=1S/C15H22N2O3S/c1-16-8-12-3-2-4-13(7-12)11-21(18,19)17-9-14-5-6-15(10-17)20-14/h2-4,7,14-16H,5-6,8-11H2,1H3
InChIKeyKQIFPTAQSHHBOJ-UHFFFAOYSA-N
XLogP1.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(3,4-dimethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]-N-methylmethanamine
CID 79187487
N-(1,1-dioxothiolan-3-yl)-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
CID 106059827
4-[(3-methylsulfonylphenyl)methylsulfonyl]-4-azatricyclo[5.2.1.02,6]decane
CID 128580490
N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methanamine
CID 66371904
3-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]benzoic acid
CID 43362418
N-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]ethanamine
CID 66371224
1-[5-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]-N-methylmethanamine
CID 66371683
1-[4-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]-N-methylmethanamine
CID 107455267
N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide
CID 43606208
1-[3,5-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylmethanamine
CID 66371529
1-[3-(methylaminomethyl)phenyl]-N-(2-methylsulfanylethyl)methanesulfonamide
CID 114141318
N-[2-(dimethylamino)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
CID 106032445

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonylmethyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonylmethyl)phenyl]methanamine (CID 66372096) is N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonylmethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonylmethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonylmethyl)phenyl]methanamine is CNCc1cccc(CS(=O)(=O)N2CC3CCC(C2)O3)c1.
What is the InChIKey of N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonylmethyl)phenyl]methanamine?
The InChIKey is KQIFPTAQSHHBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-16-8-12-3-2-4-13(7-12)11-21(18,19)17-9-14-5-6-15(10-17)20-14/h2-4,7,14-16H,5-6,8-11H2,1H3.
What are the key properties of N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonylmethyl)phenyl]methanamine?
N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonylmethyl)phenyl]methanamine has a molecular weight of 310.42 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonylmethyl)phenyl]methanamine is sourced from PubChem (CID 66372096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).