N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methanamine

C12H18N2O3S2 — CID 66371904

IUPACN-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methanamine
SMILESCNCc1sccc1S(=O)(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C12H18N2O3S2/c1-13-6-11-12(4-5-18-11)19(15,16)14-7-9-2-3-10(8-14)17-9/h4-5,9-10,13H,2-3,6-8H2,1H3
InChIKeyWCSRTVONLBBVLY-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.02
Rot. Bonds4

About N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methanamine

N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methanamine (PubChem CID 66371904) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methanamine
PubChem CID66371904
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC NameN-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methanamine
SMILESCNCc1sccc1S(=O)(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C12H18N2O3S2/c1-13-6-11-12(4-5-18-11)19(15,16)14-7-9-2-3-10(8-14)17-9/h4-5,9-10,13H,2-3,6-8H2,1H3
InChIKeyWCSRTVONLBBVLY-UHFFFAOYSA-N
XLogP1.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methanamine with MolForge

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Related Compounds

1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine
CID 79187058
1-[3-[3-(methoxymethyl)piperidin-1-yl]sulfonylthiophen-2-yl]-N-methylmethanamine
CID 106590013
1-[5-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]-N-methylmethanamine
CID 66371683
2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]thiophene-3-sulfonamide
CID 106050570
N-[[5-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methyl]ethanamine
CID 66372086
2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 114141131
N-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106063941
N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine
CID 66370510
N-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)thiophen-2-yl]methyl]ethanamine
CID 79936070
N-[[3-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
CID 102971861
N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonylmethyl)phenyl]methanamine
CID 66372096
5-bromo-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine
CID 66370317

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methanamine (CID 66371904) is N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methanamine is CNCc1sccc1S(=O)(=O)N1CC2CCC(C1)O2.
What is the InChIKey of N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methanamine?
The InChIKey is WCSRTVONLBBVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-13-6-11-12(4-5-18-11)19(15,16)14-7-9-2-3-10(8-14)17-9/h4-5,9-10,13H,2-3,6-8H2,1H3.
What are the key properties of N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methanamine?
N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methanamine has a molecular weight of 302.42 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-ylsulfonyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 66371904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).