3,5-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-pyrazole-4-sulfonamide

C10H17N3O4S2 — CID 60700277

IUPAC3,5-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C10H17N3O4S2/c1-7-9(8(2)12-11-7)19(16,17)13-10(3)4-5-18(14,15)6-10/h13H,4-6H2,1-3H3,(H,11,12)
InChIKeyQTIGCPACRVUUBU-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.12
Rot. Bonds3

About 3,5-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 60700277) has the molecular formula C10H17N3O4S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-pyrazole-4-sulfonamide
PubChem CID60700277
Molecular FormulaC10H17N3O4S2
Molecular Weight307.40 g/mol
Exact Mass307.07
IUPAC Name3,5-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C10H17N3O4S2/c1-7-9(8(2)12-11-7)19(16,17)13-10(3)4-5-18(14,15)6-10/h13H,4-6H2,1-3H3,(H,11,12)
InChIKeyQTIGCPACRVUUBU-UHFFFAOYSA-N
XLogP-0.12
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-pyrazole-4-sulfonamide (CID 60700277) is 3,5-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NC1(C)CCS(=O)(=O)C1.
What is the InChIKey of 3,5-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is QTIGCPACRVUUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S2/c1-7-9(8(2)12-11-7)19(16,17)13-10(3)4-5-18(14,15)6-10/h13H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 3,5-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 307.40 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60700277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).