1-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)pyrazole-4-sulfonamide

C13H21N3O3S2 — CID 87032485

IUPAC1-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(CC2CCCO2)C2CCSC2)cn1
InChIInChI=1S/C13H21N3O3S2/c1-15-9-13(7-14-15)21(17,18)16(11-4-6-20-10-11)8-12-3-2-5-19-12/h7,9,11-12H,2-6,8,10H2,1H3
InChIKeyDJIZUYCEMGLXBA-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.10
Rot. Bonds5

About 1-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)pyrazole-4-sulfonamide

1-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)pyrazole-4-sulfonamide (PubChem CID 87032485) has the molecular formula C13H21N3O3S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)pyrazole-4-sulfonamide
PubChem CID87032485
Molecular FormulaC13H21N3O3S2
Molecular Weight331.46 g/mol
Exact Mass331.10
IUPAC Name1-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(CC2CCCO2)C2CCSC2)cn1
InChIInChI=1S/C13H21N3O3S2/c1-15-9-13(7-14-15)21(17,18)16(11-4-6-20-10-11)8-12-3-2-5-19-12/h7,9,11-12H,2-6,8,10H2,1H3
InChIKeyDJIZUYCEMGLXBA-UHFFFAOYSA-N
XLogP1.10
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)pyrazole-4-sulfonamide (CID 87032485) is 1-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)N(CC2CCCO2)C2CCSC2)cn1.
What is the InChIKey of 1-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)pyrazole-4-sulfonamide?
The InChIKey is DJIZUYCEMGLXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S2/c1-15-9-13(7-14-15)21(17,18)16(11-4-6-20-10-11)8-12-3-2-5-19-12/h7,9,11-12H,2-6,8,10H2,1H3.
What are the key properties of 1-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)pyrazole-4-sulfonamide?
1-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)pyrazole-4-sulfonamide has a molecular weight of 331.46 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 87032485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).