2-[(3S)-pyrrolidin-3-yl]-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide

C8H14F3N3O2S — CID 129410504

IUPAC2-[(3S)-pyrrolidin-3-yl]-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)N(CC(F)(F)F)CCN1[C@H]1CCNC1
InChIInChI=1S/C8H14F3N3O2S/c9-8(10,11)6-13-3-4-14(17(13,15)16)7-1-2-12-5-7/h7,12H,1-6H2/t7-/m0/s1
InChIKeyPVGDJURZZQQRQD-ZETCQYMHSA-N
MW273.28 g/mol
LogP-0.23
Rot. Bonds2

About 2-[(3S)-pyrrolidin-3-yl]-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide

2-[(3S)-pyrrolidin-3-yl]-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 129410504) has the molecular formula C8H14F3N3O2S and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-[(3S)-pyrrolidin-3-yl]-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(3S)-pyrrolidin-3-yl]-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID129410504
Molecular FormulaC8H14F3N3O2S
Molecular Weight273.28 g/mol
Exact Mass273.08
IUPAC Name2-[(3S)-pyrrolidin-3-yl]-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)N(CC(F)(F)F)CCN1[C@H]1CCNC1
InChIInChI=1S/C8H14F3N3O2S/c9-8(10,11)6-13-3-4-14(17(13,15)16)7-1-2-12-5-7/h7,12H,1-6H2/t7-/m0/s1
InChIKeyPVGDJURZZQQRQD-ZETCQYMHSA-N
XLogP-0.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3S)-pyrrolidin-3-yl]-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(pyrrolidin-3-ylmethyl)-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 84814050
2-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]-1,2,6-thiadiazinane 1,1-dioxide
CID 129409583
2-(pyrrolidin-2-ylmethyl)-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 84814051
1-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one
CID 84798422
2-cyclopentyl-5-(piperidin-4-ylmethyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 84814080
2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]acetic acid
CID 84807059
2-pyrrolidin-3-ylthiazinane 1,1-dioxide
CID 83819748
1-(pyrrolidin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
CID 84807581
1-piperidin-4-yl-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
CID 84807583
2-[1,1-dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]acetic acid
CID 84811012
pyrrolidin-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 63005475
1-(azetidin-3-yl)-4-(2,2,2-trifluoroethyl)piperazine
CID 62967528

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-pyrrolidin-3-yl]-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-[(3S)-pyrrolidin-3-yl]-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide (CID 129410504) is 2-[(3S)-pyrrolidin-3-yl]-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(3S)-pyrrolidin-3-yl]-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(3S)-pyrrolidin-3-yl]-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide is O=S1(=O)N(CC(F)(F)F)CCN1[C@H]1CCNC1.
What is the InChIKey of 2-[(3S)-pyrrolidin-3-yl]-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is PVGDJURZZQQRQD-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14F3N3O2S/c9-8(10,11)6-13-3-4-14(17(13,15)16)7-1-2-12-5-7/h7,12H,1-6H2/t7-/m0/s1.
What are the key properties of 2-[(3S)-pyrrolidin-3-yl]-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide?
2-[(3S)-pyrrolidin-3-yl]-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 273.28 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-pyrrolidin-3-yl]-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 129410504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).