2-[1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]pyrrolidin-3-yl]ethanol

C8H14N4O3S2 — CID 114798318

IUPAC2-[1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]pyrrolidin-3-yl]ethanol
SMILESNc1nnc(S(=O)(=O)N2CCC(CCO)C2)s1
InChIInChI=1S/C8H14N4O3S2/c9-7-10-11-8(16-7)17(14,15)12-3-1-6(5-12)2-4-13/h6,13H,1-5H2,(H2,9,10)
InChIKeySNWGTIQQLIJUKU-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.49
Rot. Bonds4

About 2-[1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]pyrrolidin-3-yl]ethanol

2-[1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]pyrrolidin-3-yl]ethanol (PubChem CID 114798318) has the molecular formula C8H14N4O3S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]pyrrolidin-3-yl]ethanol
PubChem CID114798318
Molecular FormulaC8H14N4O3S2
Molecular Weight278.36 g/mol
Exact Mass278.05
IUPAC Name2-[1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]pyrrolidin-3-yl]ethanol
SMILESNc1nnc(S(=O)(=O)N2CCC(CCO)C2)s1
InChIInChI=1S/C8H14N4O3S2/c9-7-10-11-8(16-7)17(14,15)12-3-1-6(5-12)2-4-13/h6,13H,1-5H2,(H2,9,10)
InChIKeySNWGTIQQLIJUKU-UHFFFAOYSA-N
XLogP-0.49
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-amine
CID 82090856
3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 115690733
2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 114797364
2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 102077480
2-[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]ethanol
CID 105359381
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylethanethioamide
CID 114797660
2-[1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796802
2-amino-4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 114796751
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide
CID 62357804
2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796820
2-[1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796776
2-[1-(2-amino-4-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796780

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]pyrrolidin-3-yl]ethanol (CID 114798318) is 2-[1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]pyrrolidin-3-yl]ethanol is Nc1nnc(S(=O)(=O)N2CCC(CCO)C2)s1.
What is the InChIKey of 2-[1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]pyrrolidin-3-yl]ethanol?
The InChIKey is SNWGTIQQLIJUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S2/c9-7-10-11-8(16-7)17(14,15)12-3-1-6(5-12)2-4-13/h6,13H,1-5H2,(H2,9,10).
What are the key properties of 2-[1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]pyrrolidin-3-yl]ethanol?
2-[1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]pyrrolidin-3-yl]ethanol has a molecular weight of 278.36 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114798318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).