3-methoxy-N-(4-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride

C11H19ClN2O3S2 — CID 120723173

IUPAC3-methoxy-N-(4-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride
SMILESCOc1ccsc1S(=O)(=O)NC1CNCCC1C.Cl
InChIInChI=1S/C11H18N2O3S2.ClH/c1-8-3-5-12-7-9(8)13-18(14,15)11-10(16-2)4-6-17-11;/h4,6,8-9,12-13H,3,5,7H2,1-2H3;1H
InChIKeyNYNTXZRTEANKRK-UHFFFAOYSA-N
MW326.87 g/mol
LogP1.45
Rot. Bonds4

About 3-methoxy-N-(4-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride

3-methoxy-N-(4-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride (PubChem CID 120723173) has the molecular formula C11H19ClN2O3S2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 3-methoxy-N-(4-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3-methoxy-N-(4-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride
PubChem CID120723173
Molecular FormulaC11H19ClN2O3S2
Molecular Weight326.87 g/mol
Exact Mass326.05
IUPAC Name3-methoxy-N-(4-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride
SMILESCOc1ccsc1S(=O)(=O)NC1CNCCC1C.Cl
InChIInChI=1S/C11H18N2O3S2.ClH/c1-8-3-5-12-7-9(8)13-18(14,15)11-10(16-2)4-6-17-11;/h4,6,8-9,12-13H,3,5,7H2,1-2H3;1H
InChIKeyNYNTXZRTEANKRK-UHFFFAOYSA-N
XLogP1.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 120725164
3-methoxy-N-(2-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride
CID 120726757
3-methoxy-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 120586094
5-bromo-2-methoxy-4-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722535
N-(4-aminocyclohexyl)-3-methoxythiophene-2-sulfonamide;hydrochloride
CID 119970815
N-[2-(dimethylamino)cyclohexyl]-3-methoxythiophene-2-sulfonamide
CID 126809966
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxythiophene-2-sulfonamide
CID 119968016
methyl 4-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 120723104
N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride
CID 120722805
3-(methoxymethyl)-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722944
N-[[2-methoxy-5-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]methyl]propanamide;hydrochloride
CID 120722908
3-bromo-5-chloro-2-methoxy-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120723013

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 3-methoxy-N-(4-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride (CID 120723173) is 3-methoxy-N-(4-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 3-methoxy-N-(4-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 3-methoxy-N-(4-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride is COc1ccsc1S(=O)(=O)NC1CNCCC1C.Cl.
What is the InChIKey of 3-methoxy-N-(4-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride?
The InChIKey is NYNTXZRTEANKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2.ClH/c1-8-3-5-12-7-9(8)13-18(14,15)11-10(16-2)4-6-17-11;/h4,6,8-9,12-13H,3,5,7H2,1-2H3;1H.
What are the key properties of 3-methoxy-N-(4-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride?
3-methoxy-N-(4-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120723173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).