N-(3-methoxy-2-methylpropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide

C11H20N2O3S2 — CID 106050753

IUPACN-(3-methoxy-2-methylpropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)NCC(C)COC
InChIInChI=1S/C11H20N2O3S2/c1-9(8-16-3)6-13-18(14,15)11-4-5-17-10(11)7-12-2/h4-5,9,12-13H,6-8H2,1-3H3
InChIKeyUGCGBEHIMMUPJB-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.03
Rot. Bonds8

About N-(3-methoxy-2-methylpropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide

N-(3-methoxy-2-methylpropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106050753) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(3-methoxy-2-methylpropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-2-methylpropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106050753
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC NameN-(3-methoxy-2-methylpropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)NCC(C)COC
InChIInChI=1S/C11H20N2O3S2/c1-9(8-16-3)6-13-18(14,15)11-4-5-17-10(11)7-12-2/h4-5,9,12-13H,6-8H2,1-3H3
InChIKeyUGCGBEHIMMUPJB-UHFFFAOYSA-N
XLogP1.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114142024
N-(4-methoxybutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114141493
2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 114141131
2-bromo-N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106050876
2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 106030940
N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114132383
2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106068759
2-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide
CID 106092583
N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106050829
2-(aminomethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-3-sulfonamide
CID 106050717
4-fluoro-N-(3-methoxy-2-methylpropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106050778
N-(1-methoxybutan-2-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106068260

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-methylpropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(3-methoxy-2-methylpropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide (CID 106050753) is N-(3-methoxy-2-methylpropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(3-methoxy-2-methylpropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(3-methoxy-2-methylpropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1sccc1S(=O)(=O)NCC(C)COC.
What is the InChIKey of N-(3-methoxy-2-methylpropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is UGCGBEHIMMUPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-9(8-16-3)6-13-18(14,15)11-4-5-17-10(11)7-12-2/h4-5,9,12-13H,6-8H2,1-3H3.
What are the key properties of N-(3-methoxy-2-methylpropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
N-(3-methoxy-2-methylpropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 292.43 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-methylpropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106050753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).