4-cyclopropylsulfonyl-5-N-(3-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine

C10H17N3O4S3 — CID 103348843

IUPAC4-cyclopropylsulfonyl-5-N-(3-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine
SMILESCS(=O)(=O)CCCNc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C10H17N3O4S3/c1-19(14,15)6-2-5-12-10-8(9(11)13-18-10)20(16,17)7-3-4-7/h7,12H,2-6H2,1H3,(H2,11,13)
InChIKeyPAYARJHFMOLTEK-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.51
Rot. Bonds7

About 4-cyclopropylsulfonyl-5-N-(3-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine

4-cyclopropylsulfonyl-5-N-(3-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine (PubChem CID 103348843) has the molecular formula C10H17N3O4S3 and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-(3-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-(3-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine
PubChem CID103348843
Molecular FormulaC10H17N3O4S3
Molecular Weight339.46 g/mol
Exact Mass339.04
IUPAC Name4-cyclopropylsulfonyl-5-N-(3-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine
SMILESCS(=O)(=O)CCCNc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C10H17N3O4S3/c1-19(14,15)6-2-5-12-10-8(9(11)13-18-10)20(16,17)7-3-4-7/h7,12H,2-6H2,1H3,(H2,11,13)
InChIKeyPAYARJHFMOLTEK-UHFFFAOYSA-N
XLogP0.51
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-(3-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-(3-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine (CID 103348843) is 4-cyclopropylsulfonyl-5-N-(3-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-(3-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-(3-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine is CS(=O)(=O)CCCNc1snc(N)c1S(=O)(=O)C1CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-(3-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is PAYARJHFMOLTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S3/c1-19(14,15)6-2-5-12-10-8(9(11)13-18-10)20(16,17)7-3-4-7/h7,12H,2-6H2,1H3,(H2,11,13).
What are the key properties of 4-cyclopropylsulfonyl-5-N-(3-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-(3-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 339.46 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-(3-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103348843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).