N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxythiophene-2-sulfonamide

C12H18N2O3S2 — CID 119968016

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxythiophene-2-sulfonamide
SMILESCOc1ccsc1S(=O)(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C12H18N2O3S2/c1-17-11-4-5-18-12(11)19(15,16)14-10-6-8-2-3-9(7-10)13-8/h4-5,8-10,13-14H,2-3,6-7H2,1H3
InChIKeyXQPWTXCVPSUSLI-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.32
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxythiophene-2-sulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxythiophene-2-sulfonamide (PubChem CID 119968016) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxythiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxythiophene-2-sulfonamide
PubChem CID119968016
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxythiophene-2-sulfonamide
SMILESCOc1ccsc1S(=O)(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C12H18N2O3S2/c1-17-11-4-5-18-12(11)19(15,16)14-10-6-8-2-3-9(7-10)13-8/h4-5,8-10,13-14H,2-3,6-7H2,1H3
InChIKeyXQPWTXCVPSUSLI-UHFFFAOYSA-N
XLogP1.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 120586094
N-(4-aminocyclohexyl)-3-methoxythiophene-2-sulfonamide;hydrochloride
CID 119970815
3-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 120725164
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide;hydrochloride
CID 119967957
3-methoxy-N-(2-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride
CID 120726757
3-methoxy-N-(4-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride
CID 120723173
N-[2-(dimethylamino)cyclohexyl]-3-methoxythiophene-2-sulfonamide
CID 126809966
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-3-methoxybenzoate;hydrochloride
CID 120707728
5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide
CID 119967645
5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide;hydrochloride
CID 119967644
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzoate
CID 119967795
N-(8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide
CID 61231401

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxythiophene-2-sulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxythiophene-2-sulfonamide (CID 119968016) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxythiophene-2-sulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxythiophene-2-sulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxythiophene-2-sulfonamide is COc1ccsc1S(=O)(=O)NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxythiophene-2-sulfonamide?
The InChIKey is XQPWTXCVPSUSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-17-11-4-5-18-12(11)19(15,16)14-10-6-8-2-3-9(7-10)13-8/h4-5,8-10,13-14H,2-3,6-7H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxythiophene-2-sulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxythiophene-2-sulfonamide has a molecular weight of 302.42 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxythiophene-2-sulfonamide is sourced from PubChem (CID 119968016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).