N-(2-ethoxy-2-methylpropyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide

C14H26N2O3S2 — CID 106086689

IUPACN-(2-ethoxy-2-methylpropyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
SMILESCCOC(C)(C)CNS(=O)(=O)c1cc(CNC(C)C)cs1
InChIInChI=1S/C14H26N2O3S2/c1-6-19-14(4,5)10-16-21(17,18)13-7-12(9-20-13)8-15-11(2)3/h7,9,11,15-16H,6,8,10H2,1-5H3
InChIKeyUKQPMZRSYKIKPE-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.34
Rot. Bonds9

About N-(2-ethoxy-2-methylpropyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide

N-(2-ethoxy-2-methylpropyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide (PubChem CID 106086689) has the molecular formula C14H26N2O3S2 and a molecular weight of 334.51 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
PubChem CID106086689
Molecular FormulaC14H26N2O3S2
Molecular Weight334.51 g/mol
Exact Mass334.14
IUPAC NameN-(2-ethoxy-2-methylpropyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
SMILESCCOC(C)(C)CNS(=O)(=O)c1cc(CNC(C)C)cs1
InChIInChI=1S/C14H26N2O3S2/c1-6-19-14(4,5)10-16-21(17,18)13-7-12(9-20-13)8-15-11(2)3/h7,9,11,15-16H,6,8,10H2,1-5H3
InChIKeyUKQPMZRSYKIKPE-UHFFFAOYSA-N
XLogP2.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxy-2-methylpropyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106086773
4-[(cyclopropylamino)methyl]-N-(2-ethoxy-2-methylpropyl)thiophene-2-sulfonamide
CID 106086794
N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106080531
N-[4-(dimethylamino)butyl]-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106051706
4-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 106031631
N-(1-cyclopentylethyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106065988
4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)thiophene-2-sulfonamide
CID 103466229
N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106055654
4-(ethylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 106082258
N-(3-fluorophenyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106060564
N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 115988546
4-[(propan-2-ylamino)methyl]-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106051299

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide (CID 106086689) is N-(2-ethoxy-2-methylpropyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide is CCOC(C)(C)CNS(=O)(=O)c1cc(CNC(C)C)cs1.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The InChIKey is UKQPMZRSYKIKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S2/c1-6-19-14(4,5)10-16-21(17,18)13-7-12(9-20-13)8-15-11(2)3/h7,9,11,15-16H,6,8,10H2,1-5H3.
What are the key properties of N-(2-ethoxy-2-methylpropyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
N-(2-ethoxy-2-methylpropyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide has a molecular weight of 334.51 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106086689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).