(3S)-3-propan-2-yl-2,3-dihydro-1,2-thiazole 1,1-dioxide

C6H11NO2S — CID 11205943

IUPAC(3S)-3-propan-2-yl-2,3-dihydro-1,2-thiazole 1,1-dioxide
SMILESCC(C)[C@H]1C=CS(=O)(=O)N1
InChIInChI=1S/C6H11NO2S/c1-5(2)6-3-4-10(8,9)7-6/h3-7H,1-2H3/t6-/m1/s1
InChIKeyCIFNOECOHMDBLI-ZCFIWIBFSA-N
MW161.23 g/mol
LogP0.46
Rot. Bonds1

About (3S)-3-propan-2-yl-2,3-dihydro-1,2-thiazole 1,1-dioxide

(3S)-3-propan-2-yl-2,3-dihydro-1,2-thiazole 1,1-dioxide (PubChem CID 11205943) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is (3S)-3-propan-2-yl-2,3-dihydro-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name(3S)-3-propan-2-yl-2,3-dihydro-1,2-thiazole 1,1-dioxide
PubChem CID11205943
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name(3S)-3-propan-2-yl-2,3-dihydro-1,2-thiazole 1,1-dioxide
SMILESCC(C)[C@H]1C=CS(=O)(=O)N1
InChIInChI=1S/C6H11NO2S/c1-5(2)6-3-4-10(8,9)7-6/h3-7H,1-2H3/t6-/m1/s1
InChIKeyCIFNOECOHMDBLI-ZCFIWIBFSA-N
XLogP0.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-propan-2-yl-2,3-dihydro-1,2-thiazole 1,1-dioxide?
The IUPAC name of (3S)-3-propan-2-yl-2,3-dihydro-1,2-thiazole 1,1-dioxide (CID 11205943) is (3S)-3-propan-2-yl-2,3-dihydro-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for (3S)-3-propan-2-yl-2,3-dihydro-1,2-thiazole 1,1-dioxide?
The canonical SMILES for (3S)-3-propan-2-yl-2,3-dihydro-1,2-thiazole 1,1-dioxide is CC(C)[C@H]1C=CS(=O)(=O)N1.
What is the InChIKey of (3S)-3-propan-2-yl-2,3-dihydro-1,2-thiazole 1,1-dioxide?
The InChIKey is CIFNOECOHMDBLI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-5(2)6-3-4-10(8,9)7-6/h3-7H,1-2H3/t6-/m1/s1.
What are the key properties of (3S)-3-propan-2-yl-2,3-dihydro-1,2-thiazole 1,1-dioxide?
(3S)-3-propan-2-yl-2,3-dihydro-1,2-thiazole 1,1-dioxide has a molecular weight of 161.23 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-propan-2-yl-2,3-dihydro-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 11205943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).