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

C12H20ClN2O3S2- — CID 53314568

IUPAC2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide chloride
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/p-1
InChIKeyVDRNUBKZENJLRN-UHFFFAOYSA-M
MW339.89 g/mol
LogP-2.02
Rot. Bonds5

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

2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide chloride (PubChem CID 53314568) has the molecular formula C12H20ClN2O3S2- and a molecular weight of 339.89 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide chloride.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide chloride
PubChem CID53314568
Molecular FormulaC12H20ClN2O3S2-
Molecular Weight339.89 g/mol
Exact Mass339.06
IUPAC Name2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide chloride
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/p-1
InChIKeyVDRNUBKZENJLRN-UHFFFAOYSA-M
XLogP-2.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.89
LogP ≤ 5-2.02
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 chloride?
The IUPAC name of 2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide chloride (CID 53314568) is 2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide chloride.
What is the SMILES notation for 2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide chloride?
The canonical SMILES for 2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide chloride 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 chloride?
The InChIKey is VDRNUBKZENJLRN-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide chloride?
2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide chloride has a molecular weight of 339.89 g/mol, XLogP of -2.02, 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 chloride is sourced from PubChem (CID 53314568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).