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

C11H19N3O4S3 — CID 103349636

IUPAC4-cyclopropylsulfonyl-5-N-(2-methyl-2-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)(CNc1snc(N)c1S(=O)(=O)C1CC1)S(C)(=O)=O
InChIInChI=1S/C11H19N3O4S3/c1-11(2,20(3,15)16)6-13-10-8(9(12)14-19-10)21(17,18)7-4-5-7/h7,13H,4-6H2,1-3H3,(H2,12,14)
InChIKeyICMWHOVMNDMYOO-UHFFFAOYSA-N
MW353.49 g/mol
LogP0.90
Rot. Bonds6

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

4-cyclopropylsulfonyl-5-N-(2-methyl-2-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine (PubChem CID 103349636) has the molecular formula C11H19N3O4S3 and a molecular weight of 353.49 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-(2-methyl-2-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-(2-methyl-2-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine
PubChem CID103349636
Molecular FormulaC11H19N3O4S3
Molecular Weight353.49 g/mol
Exact Mass353.05
IUPAC Name4-cyclopropylsulfonyl-5-N-(2-methyl-2-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)(CNc1snc(N)c1S(=O)(=O)C1CC1)S(C)(=O)=O
InChIInChI=1S/C11H19N3O4S3/c1-11(2,20(3,15)16)6-13-10-8(9(12)14-19-10)21(17,18)7-4-5-7/h7,13H,4-6H2,1-3H3,(H2,12,14)
InChIKeyICMWHOVMNDMYOO-UHFFFAOYSA-N
XLogP0.90
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-(2-methyl-2-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-(2-methyl-2-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine (CID 103349636) is 4-cyclopropylsulfonyl-5-N-(2-methyl-2-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-(2-methyl-2-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-(2-methyl-2-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine is CC(C)(CNc1snc(N)c1S(=O)(=O)C1CC1)S(C)(=O)=O.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-(2-methyl-2-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is ICMWHOVMNDMYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S3/c1-11(2,20(3,15)16)6-13-10-8(9(12)14-19-10)21(17,18)7-4-5-7/h7,13H,4-6H2,1-3H3,(H2,12,14).
What are the key properties of 4-cyclopropylsulfonyl-5-N-(2-methyl-2-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-(2-methyl-2-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 353.49 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-(2-methyl-2-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).