N-(2-ethoxypropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide

C12H22N2O3S2 — CID 106078895

IUPACN-(2-ethoxypropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1ccc(CCNC)s1
InChIInChI=1S/C12H22N2O3S2/c1-4-17-10(2)9-14-19(15,16)12-6-5-11(18-12)7-8-13-3/h5-6,10,13-14H,4,7-9H2,1-3H3
InChIKeyINWHFJBBDDETOR-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.21
Rot. Bonds9

About N-(2-ethoxypropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide

N-(2-ethoxypropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide (PubChem CID 106078895) has the molecular formula C12H22N2O3S2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
PubChem CID106078895
Molecular FormulaC12H22N2O3S2
Molecular Weight306.45 g/mol
Exact Mass306.11
IUPAC NameN-(2-ethoxypropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1ccc(CCNC)s1
InChIInChI=1S/C12H22N2O3S2/c1-4-17-10(2)9-14-19(15,16)12-6-5-11(18-12)7-8-13-3/h5-6,10,13-14H,4,7-9H2,1-3H3
InChIKeyINWHFJBBDDETOR-UHFFFAOYSA-N
XLogP1.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid
CID 113477021
5-[2-(methylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 106064914
N-(cyclopentylmethyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106027253
N-(4-ethylphenyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 107287170
N-(2-ethoxyethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide
CID 106020076
5-ethyl-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide
CID 110602852
5-[2-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
CID 106054648
5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
CID 115613311
5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide
CID 102915697
5-[2-(methylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide
CID 81174323
2,2-dimethyl-N-[2-[5-[2-(methylamino)propylsulfamoyl]thiophen-2-yl]ethyl]propanamide
CID 120824426
N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide
CID 166983040

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-(2-ethoxypropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide (CID 106078895) is N-(2-ethoxypropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-ethoxypropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-(2-ethoxypropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide is CCOC(C)CNS(=O)(=O)c1ccc(CCNC)s1.
What is the InChIKey of N-(2-ethoxypropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide?
The InChIKey is INWHFJBBDDETOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S2/c1-4-17-10(2)9-14-19(15,16)12-6-5-11(18-12)7-8-13-3/h5-6,10,13-14H,4,7-9H2,1-3H3.
What are the key properties of N-(2-ethoxypropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide?
N-(2-ethoxypropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide has a molecular weight of 306.45 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106078895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).