N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C15H23N3O2S2 — CID 56798634

IUPACN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(c1cccs1)C(C)(C)C
InChIInChI=1S/C15H23N3O2S2/c1-10-13(11(2)18(6)16-10)22(19,20)17-14(15(3,4)5)12-8-7-9-21-12/h7-9,14,17H,1-6H3
InChIKeyDJPFCCRFIOJNRA-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.16
Rot. Bonds4

About N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 56798634) has the molecular formula C15H23N3O2S2 and a molecular weight of 341.50 g/mol. Its IUPAC name is N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID56798634
Molecular FormulaC15H23N3O2S2
Molecular Weight341.50 g/mol
Exact Mass341.12
IUPAC NameN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(c1cccs1)C(C)(C)C
InChIInChI=1S/C15H23N3O2S2/c1-10-13(11(2)18(6)16-10)22(19,20)17-14(15(3,4)5)12-8-7-9-21-12/h7-9,14,17H,1-6H3
InChIKeyDJPFCCRFIOJNRA-UHFFFAOYSA-N
XLogP3.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 56798634) is N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NC(c1cccs1)C(C)(C)C.
What is the InChIKey of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is DJPFCCRFIOJNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S2/c1-10-13(11(2)18(6)16-10)22(19,20)17-14(15(3,4)5)12-8-7-9-21-12/h7-9,14,17H,1-6H3.
What are the key properties of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 341.50 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 56798634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).