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

C11H18N2O3S2 — CID 120725164

IUPAC3-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide
SMILESCOc1ccsc1S(=O)(=O)NC1CCNCC1C
InChIInChI=1S/C11H18N2O3S2/c1-8-7-12-5-3-9(8)13-18(14,15)11-10(16-2)4-6-17-11/h4,6,8-9,12-13H,3,5,7H2,1-2H3
InChIKeyAVBVOVVOELWZJS-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.03
Rot. Bonds4

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

3-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide (PubChem CID 120725164) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide
PubChem CID120725164
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC Name3-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide
SMILESCOc1ccsc1S(=O)(=O)NC1CCNCC1C
InChIInChI=1S/C11H18N2O3S2/c1-8-7-12-5-3-9(8)13-18(14,15)11-10(16-2)4-6-17-11/h4,6,8-9,12-13H,3,5,7H2,1-2H3
InChIKeyAVBVOVVOELWZJS-UHFFFAOYSA-N
XLogP1.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(4-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride
CID 120723173
3-methoxy-N-(2-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride
CID 120726757
2,4,6-trimethoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120876553
3-methoxy-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 120586094
4-bromo-3-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724741
4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725010
4-methoxy-N-(3-methylpiperidin-4-yl)naphthalene-1-sulfonamide
CID 120725200
2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
CID 129467888
N-[2-(dimethylamino)cyclohexyl]-3-methoxythiophene-2-sulfonamide
CID 126809966
2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724939
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxythiophene-2-sulfonamide
CID 119968016
2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725133

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 3-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide (CID 120725164) is 3-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 3-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide is COc1ccsc1S(=O)(=O)NC1CCNCC1C.
What is the InChIKey of 3-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide?
The InChIKey is AVBVOVVOELWZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-8-7-12-5-3-9(8)13-18(14,15)11-10(16-2)4-6-17-11/h4,6,8-9,12-13H,3,5,7H2,1-2H3.
What are the key properties of 3-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide?
3-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide has a molecular weight of 290.41 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 120725164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).