2-(cyclopropylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide

C7H11N3O4S3 — CID 64553272

IUPAC2-(cyclopropylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(NS(=O)(=O)C2CC2)sc1S(N)(=O)=O
InChIInChI=1S/C7H11N3O4S3/c1-4-6(16(8,11)12)15-7(9-4)10-17(13,14)5-2-3-5/h5H,2-3H2,1H3,(H,9,10)(H2,8,11,12)
InChIKeyYKSURCNNGPFPLY-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.00
Rot. Bonds4

About 2-(cyclopropylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide

2-(cyclopropylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 64553272) has the molecular formula C7H11N3O4S3 and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(cyclopropylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-(cyclopropylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID64553272
Molecular FormulaC7H11N3O4S3
Molecular Weight297.38 g/mol
Exact Mass296.99
IUPAC Name2-(cyclopropylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(NS(=O)(=O)C2CC2)sc1S(N)(=O)=O
InChIInChI=1S/C7H11N3O4S3/c1-4-6(16(8,11)12)15-7(9-4)10-17(13,14)5-2-3-5/h5H,2-3H2,1H3,(H,9,10)(H2,8,11,12)
InChIKeyYKSURCNNGPFPLY-UHFFFAOYSA-N
XLogP0.00
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-(cyclopropylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide (CID 64553272) is 2-(cyclopropylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-(cyclopropylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-(cyclopropylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(NS(=O)(=O)C2CC2)sc1S(N)(=O)=O.
What is the InChIKey of 2-(cyclopropylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is YKSURCNNGPFPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S3/c1-4-6(16(8,11)12)15-7(9-4)10-17(13,14)5-2-3-5/h5H,2-3H2,1H3,(H,9,10)(H2,8,11,12).
What are the key properties of 2-(cyclopropylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide?
2-(cyclopropylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 64553272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).