N-(4-methoxybutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide

C11H20N2O3S2 — CID 114141493

IUPACN-(4-methoxybutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)NC(C)CCOC
InChIInChI=1S/C11H20N2O3S2/c1-9(4-6-16-3)13-18(14,15)11-5-7-17-10(11)8-12-2/h5,7,9,12-13H,4,6,8H2,1-3H3
InChIKeyUIODXENZNQKPRY-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.17
Rot. Bonds8

About N-(4-methoxybutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide

N-(4-methoxybutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 114141493) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID114141493
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC NameN-(4-methoxybutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)NC(C)CCOC
InChIInChI=1S/C11H20N2O3S2/c1-9(4-6-16-3)13-18(14,15)11-5-7-17-10(11)8-12-2/h5,7,9,12-13H,4,6,8H2,1-3H3
InChIKeyUIODXENZNQKPRY-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxy-2-methylpropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106050753
2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 114141131
2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106068759
N-(4-methoxybutan-2-yl)-2-(methylamino)benzenesulfonamide
CID 64603296
2-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 106067499
N-(1-methoxybutan-2-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106068260
N-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114142024
N-[1-(1H-imidazol-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106085042
N-(4-ethylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106084591
4-fluoro-N-(4-methoxybutan-2-yl)-3-(methylaminomethyl)benzenesulfonamide
CID 106067547
N-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106063941
2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide
CID 114174631

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(4-methoxybutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide (CID 114141493) is N-(4-methoxybutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(4-methoxybutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1sccc1S(=O)(=O)NC(C)CCOC.
What is the InChIKey of N-(4-methoxybutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is UIODXENZNQKPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-9(4-6-16-3)13-18(14,15)11-5-7-17-10(11)8-12-2/h5,7,9,12-13H,4,6,8H2,1-3H3.
What are the key properties of N-(4-methoxybutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
N-(4-methoxybutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 292.43 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 114141493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).