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

C12H20N2O2S2 — CID 114109937

IUPACN-(2-ethylcyclopropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
SMILESCCC1CC1NS(=O)(=O)c1ccc(CCNC)s1
InChIInChI=1S/C12H20N2O2S2/c1-3-9-8-11(9)14-18(15,16)12-5-4-10(17-12)6-7-13-2/h4-5,9,11,13-14H,3,6-8H2,1-2H3
InChIKeyDGNOXKWFSKKTOR-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.59
Rot. Bonds7

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

N-(2-ethylcyclopropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide (PubChem CID 114109937) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(2-ethylcyclopropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylcyclopropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
PubChem CID114109937
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC NameN-(2-ethylcyclopropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
SMILESCCC1CC1NS(=O)(=O)c1ccc(CCNC)s1
InChIInChI=1S/C12H20N2O2S2/c1-3-9-8-11(9)14-18(15,16)12-5-4-10(17-12)6-7-13-2/h4-5,9,11,13-14H,3,6-8H2,1-2H3
InChIKeyDGNOXKWFSKKTOR-UHFFFAOYSA-N
XLogP1.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(methylamino)ethyl]-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106091476
5-[2-(methylamino)ethyl]-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106091389
5-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 106025620
N-(cyclopentylmethyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106027253
5-[2-(methylamino)ethyl]-N-[(2-methylcyclohexyl)methyl]thiophene-2-sulfonamide
CID 106018540
N-(4-ethylphenyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 107287170
N-(2-methyloxolan-3-yl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 106076260
N-[2-(bromomethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide
CID 106367504
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
5-[2-(cyclopropylamino)ethyl]-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
CID 106076226
N-(2-ethoxypropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106078895
5-[2-(methylamino)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-sulfonamide
CID 106056402

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclopropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-(2-ethylcyclopropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide (CID 114109937) is N-(2-ethylcyclopropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-ethylcyclopropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-(2-ethylcyclopropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide is CCC1CC1NS(=O)(=O)c1ccc(CCNC)s1.
What is the InChIKey of N-(2-ethylcyclopropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide?
The InChIKey is DGNOXKWFSKKTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-3-9-8-11(9)14-18(15,16)12-5-4-10(17-12)6-7-13-2/h4-5,9,11,13-14H,3,6-8H2,1-2H3.
What are the key properties of N-(2-ethylcyclopropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide?
N-(2-ethylcyclopropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide has a molecular weight of 288.44 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclopropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 114109937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).