N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]thiophene-2-sulfonamide

C12H15N3O3S2 — CID 128992375

IUPACN-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]thiophene-2-sulfonamide
SMILESCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2cccs2)cn1
InChIInChI=1S/C12H15N3O3S2/c1-15-8-9(7-13-15)12-10(4-5-18-12)14-20(16,17)11-3-2-6-19-11/h2-3,6-8,10,12,14H,4-5H2,1H3/t10-,12+/m0/s1
InChIKeyJTSXUKBWZDOEJO-CMPLNLGQSA-N
MW313.40 g/mol
LogP1.29
Rot. Bonds4

About N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]thiophene-2-sulfonamide

N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]thiophene-2-sulfonamide (PubChem CID 128992375) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]thiophene-2-sulfonamide
PubChem CID128992375
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC NameN-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]thiophene-2-sulfonamide
SMILESCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2cccs2)cn1
InChIInChI=1S/C12H15N3O3S2/c1-15-8-9(7-13-15)12-10(4-5-18-12)14-20(16,17)11-3-2-6-19-11/h2-3,6-8,10,12,14H,4-5H2,1H3/t10-,12+/m0/s1
InChIKeyJTSXUKBWZDOEJO-CMPLNLGQSA-N
XLogP1.29
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,2-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]imidazole-4-sulfonamide
CID 128972184
6-chloro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 129005358
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]thiophene-2-carboxamide
CID 128997659
1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 97075466
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 97075465
(2S,3S)-2-(1-methylpyrazol-4-yl)-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide
CID 129003529
2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 128997737
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 35276912
1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 17022440
(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-amine;dihydrochloride
CID 86775431
2-(1-methylpyrazol-4-yl)oxolane-3-carbaldehyde
CID 130815204
N-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)thiophene-2-sulfonamide
CID 73133417

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]thiophene-2-sulfonamide (CID 128992375) is N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]thiophene-2-sulfonamide is Cn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2cccs2)cn1.
What is the InChIKey of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]thiophene-2-sulfonamide?
The InChIKey is JTSXUKBWZDOEJO-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-15-8-9(7-13-15)12-10(4-5-18-12)14-20(16,17)11-3-2-6-19-11/h2-3,6-8,10,12,14H,4-5H2,1H3/t10-,12+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]thiophene-2-sulfonamide?
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]thiophene-2-sulfonamide has a molecular weight of 313.40 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 128992375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).