N-[2-(diethylamino)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide

C11H20N2O3S2 — CID 114132259

IUPACN-[2-(diethylamino)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccsc1CO
InChIInChI=1S/C11H20N2O3S2/c1-3-13(4-2)7-6-12-18(15,16)11-5-8-17-10(11)9-14/h5,8,12,14H,3-4,6-7,9H2,1-2H3
InChIKeyPQCIKWHQZHWLMY-UHFFFAOYSA-N
MW292.43 g/mol
LogP0.86
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide

N-[2-(diethylamino)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide (PubChem CID 114132259) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide
PubChem CID114132259
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC NameN-[2-(diethylamino)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccsc1CO
InChIInChI=1S/C11H20N2O3S2/c1-3-13(4-2)7-6-12-18(15,16)11-5-8-17-10(11)9-14/h5,8,12,14H,3-4,6-7,9H2,1-2H3
InChIKeyPQCIKWHQZHWLMY-UHFFFAOYSA-N
XLogP0.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(hydroxymethyl)-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
CID 106002506
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 106032375
2-(hydroxymethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106423536
N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 106001559
2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716607
N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114132383
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 106000129
2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716586
N-[2-(diethylamino)ethyl]-2-(ethylamino)benzenesulfonamide
CID 62150418
2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 106059176
4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716590
N-(4-bromo-2-methylphenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 107425265

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide (CID 114132259) is N-[2-(diethylamino)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide is CCN(CC)CCNS(=O)(=O)c1ccsc1CO.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide?
The InChIKey is PQCIKWHQZHWLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-3-13(4-2)7-6-12-18(15,16)11-5-8-17-10(11)9-14/h5,8,12,14H,3-4,6-7,9H2,1-2H3.
What are the key properties of N-[2-(diethylamino)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide?
N-[2-(diethylamino)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide has a molecular weight of 292.43 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 114132259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).