(2S,3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)butane-2-sulfonamide

C9H16N2O2S2 — CID 147832584

IUPAC(2S,3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)butane-2-sulfonamide
SMILESCc1nc([C@@H](C)[C@H](C)S(N)(=O)=O)sc1C
InChIInChI=1S/C9H16N2O2S2/c1-5(8(4)15(10,12)13)9-11-6(2)7(3)14-9/h5,8H,1-4H3,(H2,10,12,13)/t5-,8-/m0/s1
InChIKeyHRJUAASRFXNIOY-XNCJUZBTSA-N
MW248.37 g/mol
LogP1.54
Rot. Bonds3

About (2S,3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)butane-2-sulfonamide

(2S,3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)butane-2-sulfonamide (PubChem CID 147832584) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S,3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)butane-2-sulfonamide.

Molecular Properties

Compound Name(2S,3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)butane-2-sulfonamide
PubChem CID147832584
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC Name(2S,3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)butane-2-sulfonamide
SMILESCc1nc([C@@H](C)[C@H](C)S(N)(=O)=O)sc1C
InChIInChI=1S/C9H16N2O2S2/c1-5(8(4)15(10,12)13)9-11-6(2)7(3)14-9/h5,8H,1-4H3,(H2,10,12,13)/t5-,8-/m0/s1
InChIKeyHRJUAASRFXNIOY-XNCJUZBTSA-N
XLogP1.54
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloropentan-2-yl)-4,5-dimethyl-1,3-thiazole
CID 65168760
3-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 65168755
3-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine
CID 65169091
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]propane-1-sulfonamide
CID 110289740
4,5-dimethyl-2-(1-phenylethyl)-1,3-thiazole
CID 83382597
1-[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]ethanamine
CID 116633080
4,5-dimethyl-1,3-thiazole-2-sulfonate
CID 7103197
4,5-dimethyl-2-[[methyl(sulfamoyl)amino]methyl]-1,3-thiazole
CID 164661711
[4-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
CID 113328487
N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-sulfonothioamide
CID 161235170
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine
CID 65169094
2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-1-amine
CID 83977634

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)butane-2-sulfonamide?
The IUPAC name of (2S,3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)butane-2-sulfonamide (CID 147832584) is (2S,3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)butane-2-sulfonamide.
What is the SMILES notation for (2S,3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)butane-2-sulfonamide?
The canonical SMILES for (2S,3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)butane-2-sulfonamide is Cc1nc([C@@H](C)[C@H](C)S(N)(=O)=O)sc1C.
What is the InChIKey of (2S,3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)butane-2-sulfonamide?
The InChIKey is HRJUAASRFXNIOY-XNCJUZBTSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-5(8(4)15(10,12)13)9-11-6(2)7(3)14-9/h5,8H,1-4H3,(H2,10,12,13)/t5-,8-/m0/s1.
What are the key properties of (2S,3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)butane-2-sulfonamide?
(2S,3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)butane-2-sulfonamide has a molecular weight of 248.37 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)butane-2-sulfonamide is sourced from PubChem (CID 147832584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).