5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide

C10H18N2O3S2 — CID 106079881

IUPAC5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1csc(CN)c1
InChIInChI=1S/C10H18N2O3S2/c1-10(2,15-3)7-12-17(13,14)9-4-8(5-11)16-6-9/h4,6,12H,5,7,11H2,1-3H3
InChIKeyBKJWTKYZYMYGRF-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.91
Rot. Bonds6

About 5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide

5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide (PubChem CID 106079881) has the molecular formula C10H18N2O3S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide
PubChem CID106079881
Molecular FormulaC10H18N2O3S2
Molecular Weight278.40 g/mol
Exact Mass278.08
IUPAC Name5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1csc(CN)c1
InChIInChI=1S/C10H18N2O3S2/c1-10(2,15-3)7-12-17(13,14)9-4-8(5-11)16-6-9/h4,6,12H,5,7,11H2,1-3H3
InChIKeyBKJWTKYZYMYGRF-UHFFFAOYSA-N
XLogP0.91
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(2,2-dimethylbutyl)thiophene-3-sulfonamide
CID 103466132
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-2-methylthiophene-3-sulfonamide
CID 114142094
5-(aminomethyl)-N-(2-methoxypropyl)thiophene-3-sulfonamide
CID 102701613
5-(aminomethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide
CID 115409051
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-2-methylfuran-3-sulfonamide
CID 106079921
5-(aminomethyl)-N-(2-ethoxypropyl)thiophene-3-sulfonamide
CID 114142018
5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 114141274
5-(aminomethyl)-N-(1-methoxypropan-2-yl)thiophene-3-sulfonamide
CID 106056951
5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]thiophene-3-sulfonamide
CID 114102371
5-(aminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 114138779
4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 113449858
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide
CID 106023109

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide (CID 106079881) is 5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide is COC(C)(C)CNS(=O)(=O)c1csc(CN)c1.
What is the InChIKey of 5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide?
The InChIKey is BKJWTKYZYMYGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S2/c1-10(2,15-3)7-12-17(13,14)9-4-8(5-11)16-6-9/h4,6,12H,5,7,11H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide?
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide has a molecular weight of 278.40 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106079881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).