(3R,4R)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol

C7H11N3OS2 — CID 126847736

IUPAC(3R,4R)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol
SMILESCc1nnc(S[C@@H]2CNC[C@H]2O)s1
InChIInChI=1S/C7H11N3OS2/c1-4-9-10-7(12-4)13-6-3-8-2-5(6)11/h5-6,8,11H,2-3H2,1H3/t5-,6-/m1/s1
InChIKeyICRSFZWEULDVEJ-PHDIDXHHSA-N
MW217.32 g/mol
LogP0.27
Rot. Bonds2

About (3R,4R)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol

(3R,4R)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol (PubChem CID 126847736) has the molecular formula C7H11N3OS2 and a molecular weight of 217.32 g/mol. Its IUPAC name is (3R,4R)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol
PubChem CID126847736
Molecular FormulaC7H11N3OS2
Molecular Weight217.32 g/mol
Exact Mass217.03
IUPAC Name(3R,4R)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol
SMILESCc1nnc(S[C@@H]2CNC[C@H]2O)s1
InChIInChI=1S/C7H11N3OS2/c1-4-9-10-7(12-4)13-6-3-8-2-5(6)11/h5-6,8,11H,2-3H2,1H3/t5-,6-/m1/s1
InChIKeyICRSFZWEULDVEJ-PHDIDXHHSA-N
XLogP0.27
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol (CID 126847736) is (3R,4R)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol is Cc1nnc(S[C@@H]2CNC[C@H]2O)s1.
What is the InChIKey of (3R,4R)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol?
The InChIKey is ICRSFZWEULDVEJ-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H11N3OS2/c1-4-9-10-7(12-4)13-6-3-8-2-5(6)11/h5-6,8,11H,2-3H2,1H3/t5-,6-/m1/s1.
What are the key properties of (3R,4R)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol?
(3R,4R)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol has a molecular weight of 217.32 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol is sourced from PubChem (CID 126847736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).