2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide;hydrochloride

C12H21ClN2O3S2 — CID 6602862

IUPAC2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NCCN2CCOCC2)c(C)s1.Cl
InChIInChI=1S/C12H20N2O3S2.ClH/c1-10-9-12(11(2)18-10)19(15,16)13-3-4-14-5-7-17-8-6-14;/h9,13H,3-8H2,1-2H3;1H
InChIKeyVDRNUBKZENJLRN-UHFFFAOYSA-N
MW340.90 g/mol
LogP1.40
Rot. Bonds5

About 2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide;hydrochloride

2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide;hydrochloride (PubChem CID 6602862) has the molecular formula C12H21ClN2O3S2 and a molecular weight of 340.90 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide;hydrochloride
PubChem CID6602862
Molecular FormulaC12H21ClN2O3S2
Molecular Weight340.90 g/mol
Exact Mass340.07
IUPAC Name2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NCCN2CCOCC2)c(C)s1.Cl
InChIInChI=1S/C12H20N2O3S2.ClH/c1-10-9-12(11(2)18-10)19(15,16)13-3-4-14-5-7-17-8-6-14;/h9,13H,3-8H2,1-2H3;1H
InChIKeyVDRNUBKZENJLRN-UHFFFAOYSA-N
XLogP1.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide;hydrochloride?
The IUPAC name of 2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide;hydrochloride (CID 6602862) is 2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide;hydrochloride.
What is the SMILES notation for 2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide;hydrochloride?
The canonical SMILES for 2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide;hydrochloride is Cc1cc(S(=O)(=O)NCCN2CCOCC2)c(C)s1.Cl.
What is the InChIKey of 2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide;hydrochloride?
The InChIKey is VDRNUBKZENJLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2.ClH/c1-10-9-12(11(2)18-10)19(15,16)13-3-4-14-5-7-17-8-6-14;/h9,13H,3-8H2,1-2H3;1H.
What are the key properties of 2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide;hydrochloride?
2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide;hydrochloride is sourced from PubChem (CID 6602862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).