2-ethoxy-N,2-dimethyl-N-[(7S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]propane-1-sulfonamide

C15H26N2O3S2 — CID 164636710

IUPAC2-ethoxy-N,2-dimethyl-N-[(7S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]propane-1-sulfonamide
SMILESCCOC(C)(C)CS(=O)(=O)N(C)[C@H]1CCCc2nc(C)sc21
InChIInChI=1S/C15H26N2O3S2/c1-6-20-15(3,4)10-22(18,19)17(5)13-9-7-8-12-14(13)21-11(2)16-12/h13H,6-10H2,1-5H3/t13-/m0/s1
InChIKeyQTFDSBLMGVZDBG-ZDUSSCGKSA-N
MW346.52 g/mol
LogP2.91
Rot. Bonds6

About 2-ethoxy-N,2-dimethyl-N-[(7S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]propane-1-sulfonamide

2-ethoxy-N,2-dimethyl-N-[(7S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]propane-1-sulfonamide (PubChem CID 164636710) has the molecular formula C15H26N2O3S2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 2-ethoxy-N,2-dimethyl-N-[(7S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name2-ethoxy-N,2-dimethyl-N-[(7S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]propane-1-sulfonamide
PubChem CID164636710
Molecular FormulaC15H26N2O3S2
Molecular Weight346.52 g/mol
Exact Mass346.14
IUPAC Name2-ethoxy-N,2-dimethyl-N-[(7S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]propane-1-sulfonamide
SMILESCCOC(C)(C)CS(=O)(=O)N(C)[C@H]1CCCc2nc(C)sc21
InChIInChI=1S/C15H26N2O3S2/c1-6-20-15(3,4)10-22(18,19)17(5)13-9-7-8-12-14(13)21-11(2)16-12/h13H,6-10H2,1-5H3/t13-/m0/s1
InChIKeyQTFDSBLMGVZDBG-ZDUSSCGKSA-N
XLogP2.91
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,2-dimethyl-N-[(7S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]propane-1-sulfonamide?
The IUPAC name of 2-ethoxy-N,2-dimethyl-N-[(7S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]propane-1-sulfonamide (CID 164636710) is 2-ethoxy-N,2-dimethyl-N-[(7S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]propane-1-sulfonamide.
What is the SMILES notation for 2-ethoxy-N,2-dimethyl-N-[(7S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]propane-1-sulfonamide?
The canonical SMILES for 2-ethoxy-N,2-dimethyl-N-[(7S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]propane-1-sulfonamide is CCOC(C)(C)CS(=O)(=O)N(C)[C@H]1CCCc2nc(C)sc21.
What is the InChIKey of 2-ethoxy-N,2-dimethyl-N-[(7S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]propane-1-sulfonamide?
The InChIKey is QTFDSBLMGVZDBG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N2O3S2/c1-6-20-15(3,4)10-22(18,19)17(5)13-9-7-8-12-14(13)21-11(2)16-12/h13H,6-10H2,1-5H3/t13-/m0/s1.
What are the key properties of 2-ethoxy-N,2-dimethyl-N-[(7S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]propane-1-sulfonamide?
2-ethoxy-N,2-dimethyl-N-[(7S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]propane-1-sulfonamide has a molecular weight of 346.52 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,2-dimethyl-N-[(7S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]propane-1-sulfonamide is sourced from PubChem (CID 164636710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).