2-[(3S,5R)-5-fluoroheptan-3-yl]-1,2-thiazolidine 1,1-dioxide

C10H20FNO2S — CID 171524222

IUPAC2-[(3S,5R)-5-fluoroheptan-3-yl]-1,2-thiazolidine 1,1-dioxide
SMILESCC[C@@H](F)C[C@H](CC)N1CCCS1(=O)=O
InChIInChI=1S/C10H20FNO2S/c1-3-9(11)8-10(4-2)12-6-5-7-15(12,13)14/h9-10H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyRTQVMLZADBNFNQ-ZJUUUORDSA-N
MW237.34 g/mol
LogP1.94
Rot. Bonds5

About 2-[(3S,5R)-5-fluoroheptan-3-yl]-1,2-thiazolidine 1,1-dioxide

2-[(3S,5R)-5-fluoroheptan-3-yl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 171524222) has the molecular formula C10H20FNO2S and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[(3S,5R)-5-fluoroheptan-3-yl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(3S,5R)-5-fluoroheptan-3-yl]-1,2-thiazolidine 1,1-dioxide
PubChem CID171524222
Molecular FormulaC10H20FNO2S
Molecular Weight237.34 g/mol
Exact Mass237.12
IUPAC Name2-[(3S,5R)-5-fluoroheptan-3-yl]-1,2-thiazolidine 1,1-dioxide
SMILESCC[C@@H](F)C[C@H](CC)N1CCCS1(=O)=O
InChIInChI=1S/C10H20FNO2S/c1-3-9(11)8-10(4-2)12-6-5-7-15(12,13)14/h9-10H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyRTQVMLZADBNFNQ-ZJUUUORDSA-N
XLogP1.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5R)-5-fluoroheptan-3-yl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(3S,5R)-5-fluoroheptan-3-yl]-1,2-thiazolidine 1,1-dioxide (CID 171524222) is 2-[(3S,5R)-5-fluoroheptan-3-yl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(3S,5R)-5-fluoroheptan-3-yl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(3S,5R)-5-fluoroheptan-3-yl]-1,2-thiazolidine 1,1-dioxide is CC[C@@H](F)C[C@H](CC)N1CCCS1(=O)=O.
What is the InChIKey of 2-[(3S,5R)-5-fluoroheptan-3-yl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is RTQVMLZADBNFNQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H20FNO2S/c1-3-9(11)8-10(4-2)12-6-5-7-15(12,13)14/h9-10H,3-8H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of 2-[(3S,5R)-5-fluoroheptan-3-yl]-1,2-thiazolidine 1,1-dioxide?
2-[(3S,5R)-5-fluoroheptan-3-yl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 237.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5R)-5-fluoroheptan-3-yl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 171524222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).