(3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide

C9H19NO2S — CID 59706739

IUPAC(3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)[C@H]1NS(=O)(=O)C[C@H]1C(C)C
InChIInChI=1S/C9H19NO2S/c1-6(2)8-5-13(11,12)10-9(8)7(3)4/h6-10H,5H2,1-4H3/t8-,9+/m0/s1
InChIKeyARTGGCQUOOLGDA-DTWKUNHWSA-N
MW205.32 g/mol
LogP1.22
Rot. Bonds2

About (3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide

(3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 59706739) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is (3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name(3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID59706739
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name(3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)[C@H]1NS(=O)(=O)C[C@H]1C(C)C
InChIInChI=1S/C9H19NO2S/c1-6(2)8-5-13(11,12)10-9(8)7(3)4/h6-10H,5H2,1-4H3/t8-,9+/m0/s1
InChIKeyARTGGCQUOOLGDA-DTWKUNHWSA-N
XLogP1.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methylidene-3,4-di(propan-2-yl)thiazinane 1-oxide
CID 58841397
(3S)-3-propan-2-yl-1,2-thiazolidine 1,1-dioxide
CID 86676751
(4S,5R)-4,5-di(propan-2-yl)pyrrolidin-2-one
CID 59706732
6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide
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CID 161356354
4-propan-2-yl-1,3-thiazolidine 1,1-dioxide
CID 59396110
(3S)-3-propan-2-yl-2,3-dihydro-1,2-thiazole 1,1-dioxide
CID 11205943
(4S,6R)-4-phenyl-6-propan-2-yloxathiazinane 2,2-dioxide
CID 134965630
cis-(1R,2R)-2-propan-2-ylcyclobutan-1-ol
CID 153486186
(1R,2R,4S,5R)-5-propan-2-ylcyclohexane-1,2,4-triol
CID 157009791
2-(4-hydroxy-1,1-dioxothiolan-3-yl)propanoic acid
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cis-(1S,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride
CID 98092799

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of (3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide (CID 59706739) is (3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for (3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for (3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide is CC(C)[C@H]1NS(=O)(=O)C[C@H]1C(C)C.
What is the InChIKey of (3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is ARTGGCQUOOLGDA-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-6(2)8-5-13(11,12)10-9(8)7(3)4/h6-10H,5H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of (3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide?
(3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 205.32 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 59706739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).