N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide

C13H17N3O3S2 — CID 99873682

IUPACN-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC[C@@](O)(c2cccs2)C2CC2)cn1
InChIInChI=1S/C13H17N3O3S2/c1-16-8-11(7-14-16)21(18,19)15-9-13(17,10-4-5-10)12-3-2-6-20-12/h2-3,6-8,10,15,17H,4-5,9H2,1H3/t13-/m0/s1
InChIKeyPULAQPMEFCSPED-ZDUSSCGKSA-N
MW327.43 g/mol
LogP1.06
Rot. Bonds6

About N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide

N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 99873682) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID99873682
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC NameN-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC[C@@](O)(c2cccs2)C2CC2)cn1
InChIInChI=1S/C13H17N3O3S2/c1-16-8-11(7-14-16)21(18,19)15-9-13(17,10-4-5-10)12-3-2-6-20-12/h2-3,6-8,10,15,17H,4-5,9H2,1H3/t13-/m0/s1
InChIKeyPULAQPMEFCSPED-ZDUSSCGKSA-N
XLogP1.06
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methylpyrazole-4-sulfonamide
CID 75387197
N-[2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 76147636
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 86264026
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 91630907
(S)-1-cyclopropyl-2-(1-methyl-4-pyrazolylsulfonylamino)-1-phenyl-1-ethanol
CID 99983145
N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide
CID 99873984
N-[(2S)-2-hydroxy-2-methyl-3-thiophen-3-ylpropyl]-1-methylpyrazole-4-sulfonamide
CID 164639450
1-(1-Methylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol
CID 63220271
1-(1-Ethylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol
CID 63220272
1-(1-Propylpyrazol-4-yl)-1-thiophen-2-ylethanol
CID 63220636
1-(3-Methylthiophen-2-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 63991315
1-(1-Methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)propan-2-ol
CID 63992508

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide (CID 99873682) is N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC[C@@](O)(c2cccs2)C2CC2)cn1.
What is the InChIKey of N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is PULAQPMEFCSPED-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-16-8-11(7-14-16)21(18,19)15-9-13(17,10-4-5-10)12-3-2-6-20-12/h2-3,6-8,10,15,17H,4-5,9H2,1H3/t13-/m0/s1.
What are the key properties of N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide?
N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 327.43 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 99873682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).