N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-5-methylthiophene-2-sulfonamide

C12H17N3O3S2 — CID 75387210

IUPACN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)(O)c2cnn(C)c2)s1
InChIInChI=1S/C12H17N3O3S2/c1-9-4-5-11(19-9)20(17,18)14-8-12(2,16)10-6-13-15(3)7-10/h4-7,14,16H,8H2,1-3H3
InChIKeySGOTVTMOKPEIHD-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.98
Rot. Bonds5

About N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-5-methylthiophene-2-sulfonamide

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-5-methylthiophene-2-sulfonamide (PubChem CID 75387210) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-5-methylthiophene-2-sulfonamide
PubChem CID75387210
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)(O)c2cnn(C)c2)s1
InChIInChI=1S/C12H17N3O3S2/c1-9-4-5-11(19-9)20(17,18)14-8-12(2,16)10-6-13-15(3)7-10/h4-7,14,16H,8H2,1-3H3
InChIKeySGOTVTMOKPEIHD-UHFFFAOYSA-N
XLogP0.98
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.98
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-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide
CID 99873682
2-(1-Methylpyrazol-4-yl)-1-[[2-(trifluoromethyl)thiophen-3-yl]methylamino]propan-2-ol
CID 132319410
N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 39794959
N-ethyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 47400648
5-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 61439908
5-(2-aminoethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 61439954
5-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 61888810
5-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 61889011
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 65734715
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(3-hydroxypropyl)pyrazole-4-sulfonamide
CID 65734905

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-5-methylthiophene-2-sulfonamide (CID 75387210) is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCC(C)(O)c2cnn(C)c2)s1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is SGOTVTMOKPEIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-9-4-5-11(19-9)20(17,18)14-8-12(2,16)10-6-13-15(3)7-10/h4-7,14,16H,8H2,1-3H3.
What are the key properties of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-5-methylthiophene-2-sulfonamide?
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 75387210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).