N-(2-methoxypropyl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

C13H24N2O3S2 — CID 102755152

IUPACN-(2-methoxypropyl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1c(C)csc1CNC(C)C
InChIInChI=1S/C13H24N2O3S2/c1-9(2)14-7-12-13(10(3)8-19-12)20(16,17)15-6-11(4)18-5/h8-9,11,14-15H,6-7H2,1-5H3
InChIKeyJAKWTEMFAJIVRZ-UHFFFAOYSA-N
MW320.48 g/mol
LogP1.87
Rot. Bonds8

About N-(2-methoxypropyl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

N-(2-methoxypropyl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (PubChem CID 102755152) has the molecular formula C13H24N2O3S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-(2-methoxypropyl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxypropyl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
PubChem CID102755152
Molecular FormulaC13H24N2O3S2
Molecular Weight320.48 g/mol
Exact Mass320.12
IUPAC NameN-(2-methoxypropyl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1c(C)csc1CNC(C)C
InChIInChI=1S/C13H24N2O3S2/c1-9(2)14-7-12-13(10(3)8-19-12)20(16,17)15-6-11(4)18-5/h8-9,11,14-15H,6-7H2,1-5H3
InChIKeyJAKWTEMFAJIVRZ-UHFFFAOYSA-N
XLogP1.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102751897
N-(3,3-dimethylbutan-2-yl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106079151
4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102754459
4-methyl-2-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide
CID 102754672
N-ethyl-4-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102751342
N-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 106017165
2-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropyl)-4-methylthiophene-3-sulfonamide
CID 102754819
N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 102701241
2-(aminomethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-3-sulfonamide
CID 106050717
N,4-dimethyl-N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102752389
N-(1-cyclopropylethyl)-N,4-dimethyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102751637
N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106026679

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The IUPAC name of N-(2-methoxypropyl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (CID 102755152) is N-(2-methoxypropyl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-(2-methoxypropyl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The canonical SMILES for N-(2-methoxypropyl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is COC(C)CNS(=O)(=O)c1c(C)csc1CNC(C)C.
What is the InChIKey of N-(2-methoxypropyl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The InChIKey is JAKWTEMFAJIVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S2/c1-9(2)14-7-12-13(10(3)8-19-12)20(16,17)15-6-11(4)18-5/h8-9,11,14-15H,6-7H2,1-5H3.
What are the key properties of N-(2-methoxypropyl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
N-(2-methoxypropyl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide has a molecular weight of 320.48 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 102755152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).