2-(aminomethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-3-sulfonamide

C11H20N2O3S2 — CID 106050717

IUPAC2-(aminomethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-3-sulfonamide
SMILESCOCC(C)CNS(=O)(=O)c1c(C)csc1CN
InChIInChI=1S/C11H20N2O3S2/c1-8(6-16-3)5-13-18(14,15)11-9(2)7-17-10(11)4-12/h7-8,13H,4-6,12H2,1-3H3
InChIKeyVXPCYDAENHHKDM-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.08
Rot. Bonds7

About 2-(aminomethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-3-sulfonamide

2-(aminomethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-3-sulfonamide (PubChem CID 106050717) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-3-sulfonamide
PubChem CID106050717
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC Name2-(aminomethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-3-sulfonamide
SMILESCOCC(C)CNS(=O)(=O)c1c(C)csc1CN
InChIInChI=1S/C11H20N2O3S2/c1-8(6-16-3)5-13-18(14,15)11-9(2)7-17-10(11)4-12/h7-8,13H,4-6,12H2,1-3H3
InChIKeyVXPCYDAENHHKDM-UHFFFAOYSA-N
XLogP1.08
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-3-sulfonamide
CID 106092711
2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide
CID 102751985
2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide
CID 102752086
2-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methylthiophene-3-sulfonamide
CID 102752860
2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide
CID 102752653
N-(2-methoxypropyl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102755152
N-(3-methoxy-2-methylpropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106050753
5-(hydroxymethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-2-sulfonamide
CID 114134527
2-(aminomethyl)-4-methyl-N-(3,4,5-trifluorophenyl)thiophene-3-sulfonamide
CID 106056298
4-methyl-2-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide
CID 102754672
2-(aminomethyl)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090624
2-(aminomethyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088307

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-3-sulfonamide (CID 106050717) is 2-(aminomethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-3-sulfonamide is COCC(C)CNS(=O)(=O)c1c(C)csc1CN.
What is the InChIKey of 2-(aminomethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-3-sulfonamide?
The InChIKey is VXPCYDAENHHKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-8(6-16-3)5-13-18(14,15)11-9(2)7-17-10(11)4-12/h7-8,13H,4-6,12H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-3-sulfonamide?
2-(aminomethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-3-sulfonamide has a molecular weight of 292.43 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106050717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).