N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)propane-2-sulfonamide

C11H15N3O3S2 — CID 60860065

IUPACN-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)propane-2-sulfonamide
SMILESCOc1cc(N)cc2sc(NS(=O)(=O)C(C)C)nc12
InChIInChI=1S/C11H15N3O3S2/c1-6(2)19(15,16)14-11-13-10-8(17-3)4-7(12)5-9(10)18-11/h4-6H,12H2,1-3H3,(H,13,14)
InChIKeyYGLMUPZNQJMMDH-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.04
Rot. Bonds4

About N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)propane-2-sulfonamide

N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)propane-2-sulfonamide (PubChem CID 60860065) has the molecular formula C11H15N3O3S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)propane-2-sulfonamide
PubChem CID60860065
Molecular FormulaC11H15N3O3S2
Molecular Weight301.39 g/mol
Exact Mass301.06
IUPAC NameN-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)propane-2-sulfonamide
SMILESCOc1cc(N)cc2sc(NS(=O)(=O)C(C)C)nc12
InChIInChI=1S/C11H15N3O3S2/c1-6(2)19(15,16)14-11-13-10-8(17-3)4-7(12)5-9(10)18-11/h4-6H,12H2,1-3H3,(H,13,14)
InChIKeyYGLMUPZNQJMMDH-UHFFFAOYSA-N
XLogP2.04
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)propane-2-sulfonamide?
The IUPAC name of N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)propane-2-sulfonamide (CID 60860065) is N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)propane-2-sulfonamide?
The canonical SMILES for N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)propane-2-sulfonamide is COc1cc(N)cc2sc(NS(=O)(=O)C(C)C)nc12.
What is the InChIKey of N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)propane-2-sulfonamide?
The InChIKey is YGLMUPZNQJMMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S2/c1-6(2)19(15,16)14-11-13-10-8(17-3)4-7(12)5-9(10)18-11/h4-6H,12H2,1-3H3,(H,13,14).
What are the key properties of N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)propane-2-sulfonamide?
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)propane-2-sulfonamide has a molecular weight of 301.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 60860065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).