(2S)-N-(1,5-dimethylpyrazol-4-yl)-2-methoxypropane-1-sulfonamide

C9H17N3O3S — CID 99838457

IUPAC(2S)-N-(1,5-dimethylpyrazol-4-yl)-2-methoxypropane-1-sulfonamide
SMILESCO[C@@H](C)CS(=O)(=O)Nc1cnn(C)c1C
InChIInChI=1S/C9H17N3O3S/c1-7(15-4)6-16(13,14)11-9-5-10-12(3)8(9)2/h5,7,11H,6H2,1-4H3/t7-/m0/s1
InChIKeyCPEBFVPGRKWGKW-ZETCQYMHSA-N
MW247.32 g/mol
LogP0.51
Rot. Bonds5

About (2S)-N-(1,5-dimethylpyrazol-4-yl)-2-methoxypropane-1-sulfonamide

(2S)-N-(1,5-dimethylpyrazol-4-yl)-2-methoxypropane-1-sulfonamide (PubChem CID 99838457) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is (2S)-N-(1,5-dimethylpyrazol-4-yl)-2-methoxypropane-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N-(1,5-dimethylpyrazol-4-yl)-2-methoxypropane-1-sulfonamide
PubChem CID99838457
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC Name(2S)-N-(1,5-dimethylpyrazol-4-yl)-2-methoxypropane-1-sulfonamide
SMILESCO[C@@H](C)CS(=O)(=O)Nc1cnn(C)c1C
InChIInChI=1S/C9H17N3O3S/c1-7(15-4)6-16(13,14)11-9-5-10-12(3)8(9)2/h5,7,11H,6H2,1-4H3/t7-/m0/s1
InChIKeyCPEBFVPGRKWGKW-ZETCQYMHSA-N
XLogP0.51
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,5-dimethylpyrazol-4-yl)-2-methoxypropane-1-sulfonamide?
The IUPAC name of (2S)-N-(1,5-dimethylpyrazol-4-yl)-2-methoxypropane-1-sulfonamide (CID 99838457) is (2S)-N-(1,5-dimethylpyrazol-4-yl)-2-methoxypropane-1-sulfonamide.
What is the SMILES notation for (2S)-N-(1,5-dimethylpyrazol-4-yl)-2-methoxypropane-1-sulfonamide?
The canonical SMILES for (2S)-N-(1,5-dimethylpyrazol-4-yl)-2-methoxypropane-1-sulfonamide is CO[C@@H](C)CS(=O)(=O)Nc1cnn(C)c1C.
What is the InChIKey of (2S)-N-(1,5-dimethylpyrazol-4-yl)-2-methoxypropane-1-sulfonamide?
The InChIKey is CPEBFVPGRKWGKW-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-7(15-4)6-16(13,14)11-9-5-10-12(3)8(9)2/h5,7,11H,6H2,1-4H3/t7-/m0/s1.
What are the key properties of (2S)-N-(1,5-dimethylpyrazol-4-yl)-2-methoxypropane-1-sulfonamide?
(2S)-N-(1,5-dimethylpyrazol-4-yl)-2-methoxypropane-1-sulfonamide has a molecular weight of 247.32 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,5-dimethylpyrazol-4-yl)-2-methoxypropane-1-sulfonamide is sourced from PubChem (CID 99838457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).