5-ethylsulfonyl-N-propyl-1,3,4-thiadiazol-2-amine

C7H13N3O2S2 — CID 48967746

IUPAC5-ethylsulfonyl-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(S(=O)(=O)CC)s1
InChIInChI=1S/C7H13N3O2S2/c1-3-5-8-6-9-10-7(13-6)14(11,12)4-2/h3-5H2,1-2H3,(H,8,9)
InChIKeyWTRHRRGHGBDEGM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.15
Rot. Bonds5

About 5-ethylsulfonyl-N-propyl-1,3,4-thiadiazol-2-amine

5-ethylsulfonyl-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 48967746) has the molecular formula C7H13N3O2S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-ethylsulfonyl-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID48967746
Molecular FormulaC7H13N3O2S2
Molecular Weight235.33 g/mol
Exact Mass235.04
IUPAC Name5-ethylsulfonyl-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(S(=O)(=O)CC)s1
InChIInChI=1S/C7H13N3O2S2/c1-3-5-8-6-9-10-7(13-6)14(11,12)4-2/h3-5H2,1-2H3,(H,8,9)
InChIKeyWTRHRRGHGBDEGM-UHFFFAOYSA-N
XLogP1.15
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethylsulfonyl-N-propyl-1,3,4-thiadiazol-2-amine (CID 48967746) is 5-ethylsulfonyl-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethylsulfonyl-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethylsulfonyl-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(S(=O)(=O)CC)s1.
What is the InChIKey of 5-ethylsulfonyl-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is WTRHRRGHGBDEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S2/c1-3-5-8-6-9-10-7(13-6)14(11,12)4-2/h3-5H2,1-2H3,(H,8,9).
What are the key properties of 5-ethylsulfonyl-N-propyl-1,3,4-thiadiazol-2-amine?
5-ethylsulfonyl-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 235.33 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 48967746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).