(2S,3R)-3-(4-methylpyrazol-1-yl)butane-2-sulfonamide

C8H15N3O2S — CID 122702024

IUPAC(2S,3R)-3-(4-methylpyrazol-1-yl)butane-2-sulfonamide
SMILESCc1cnn([C@H](C)[C@H](C)S(N)(=O)=O)c1
InChIInChI=1S/C8H15N3O2S/c1-6-4-10-11(5-6)7(2)8(3)14(9,12)13/h4-5,7-8H,1-3H3,(H2,9,12,13)/t7-,8+/m1/s1
InChIKeyGBMGZJYLXXZYPW-SFYZADRCSA-N
MW217.29 g/mol
LogP0.43
Rot. Bonds3

About (2S,3R)-3-(4-methylpyrazol-1-yl)butane-2-sulfonamide

(2S,3R)-3-(4-methylpyrazol-1-yl)butane-2-sulfonamide (PubChem CID 122702024) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is (2S,3R)-3-(4-methylpyrazol-1-yl)butane-2-sulfonamide.

Molecular Properties

Compound Name(2S,3R)-3-(4-methylpyrazol-1-yl)butane-2-sulfonamide
PubChem CID122702024
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name(2S,3R)-3-(4-methylpyrazol-1-yl)butane-2-sulfonamide
SMILESCc1cnn([C@H](C)[C@H](C)S(N)(=O)=O)c1
InChIInChI=1S/C8H15N3O2S/c1-6-4-10-11(5-6)7(2)8(3)14(9,12)13/h4-5,7-8H,1-3H3,(H2,9,12,13)/t7-,8+/m1/s1
InChIKeyGBMGZJYLXXZYPW-SFYZADRCSA-N
XLogP0.43
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(4-methylpyrazol-1-yl)butane-2-sulfonamide?
The IUPAC name of (2S,3R)-3-(4-methylpyrazol-1-yl)butane-2-sulfonamide (CID 122702024) is (2S,3R)-3-(4-methylpyrazol-1-yl)butane-2-sulfonamide.
What is the SMILES notation for (2S,3R)-3-(4-methylpyrazol-1-yl)butane-2-sulfonamide?
The canonical SMILES for (2S,3R)-3-(4-methylpyrazol-1-yl)butane-2-sulfonamide is Cc1cnn([C@H](C)[C@H](C)S(N)(=O)=O)c1.
What is the InChIKey of (2S,3R)-3-(4-methylpyrazol-1-yl)butane-2-sulfonamide?
The InChIKey is GBMGZJYLXXZYPW-SFYZADRCSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-6-4-10-11(5-6)7(2)8(3)14(9,12)13/h4-5,7-8H,1-3H3,(H2,9,12,13)/t7-,8+/m1/s1.
What are the key properties of (2S,3R)-3-(4-methylpyrazol-1-yl)butane-2-sulfonamide?
(2S,3R)-3-(4-methylpyrazol-1-yl)butane-2-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(4-methylpyrazol-1-yl)butane-2-sulfonamide is sourced from PubChem (CID 122702024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).