2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide

C7H13N3O2S3 — CID 65274915

IUPAC2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide
SMILESCC(C)c1nsc(SCCS(N)(=O)=O)n1
InChIInChI=1S/C7H13N3O2S3/c1-5(2)6-9-7(14-10-6)13-3-4-15(8,11)12/h5H,3-4H2,1-2H3,(H2,8,11,12)
InChIKeyRKVDTOYOHNQYJR-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.04
Rot. Bonds5

About 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide

2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide (PubChem CID 65274915) has the molecular formula C7H13N3O2S3 and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide
PubChem CID65274915
Molecular FormulaC7H13N3O2S3
Molecular Weight267.40 g/mol
Exact Mass267.02
IUPAC Name2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide
SMILESCC(C)c1nsc(SCCS(N)(=O)=O)n1
InChIInChI=1S/C7H13N3O2S3/c1-5(2)6-9-7(14-10-6)13-3-4-15(8,11)12/h5H,3-4H2,1-2H3,(H2,8,11,12)
InChIKeyRKVDTOYOHNQYJR-UHFFFAOYSA-N
XLogP1.04
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide?
The IUPAC name of 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide (CID 65274915) is 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide.
What is the SMILES notation for 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide?
The canonical SMILES for 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide is CC(C)c1nsc(SCCS(N)(=O)=O)n1.
What is the InChIKey of 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide?
The InChIKey is RKVDTOYOHNQYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S3/c1-5(2)6-9-7(14-10-6)13-3-4-15(8,11)12/h5H,3-4H2,1-2H3,(H2,8,11,12).
What are the key properties of 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide?
2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide has a molecular weight of 267.40 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide is sourced from PubChem (CID 65274915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).