5-butylsulfonyl-N-cyclopropyl-1,3,4-thiadiazole-2-carboxamide

C10H15N3O3S2 — CID 57084109

IUPAC5-butylsulfonyl-N-cyclopropyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCCCS(=O)(=O)c1nnc(C(=O)NC2CC2)s1
InChIInChI=1S/C10H15N3O3S2/c1-2-3-6-18(15,16)10-13-12-9(17-10)8(14)11-7-4-5-7/h7H,2-6H2,1H3,(H,11,14)
InChIKeyFNSFLUJMCZYPDC-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.00
Rot. Bonds6

About 5-butylsulfonyl-N-cyclopropyl-1,3,4-thiadiazole-2-carboxamide

5-butylsulfonyl-N-cyclopropyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 57084109) has the molecular formula C10H15N3O3S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-butylsulfonyl-N-cyclopropyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-butylsulfonyl-N-cyclopropyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID57084109
Molecular FormulaC10H15N3O3S2
Molecular Weight289.38 g/mol
Exact Mass289.06
IUPAC Name5-butylsulfonyl-N-cyclopropyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCCCS(=O)(=O)c1nnc(C(=O)NC2CC2)s1
InChIInChI=1S/C10H15N3O3S2/c1-2-3-6-18(15,16)10-13-12-9(17-10)8(14)11-7-4-5-7/h7H,2-6H2,1H3,(H,11,14)
InChIKeyFNSFLUJMCZYPDC-UHFFFAOYSA-N
XLogP1.00
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-butylsulfonyl-N-cyclopropyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-butylsulfonyl-N-cyclopropyl-1,3,4-thiadiazole-2-carboxamide (CID 57084109) is 5-butylsulfonyl-N-cyclopropyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-butylsulfonyl-N-cyclopropyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-butylsulfonyl-N-cyclopropyl-1,3,4-thiadiazole-2-carboxamide is CCCCS(=O)(=O)c1nnc(C(=O)NC2CC2)s1.
What is the InChIKey of 5-butylsulfonyl-N-cyclopropyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is FNSFLUJMCZYPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S2/c1-2-3-6-18(15,16)10-13-12-9(17-10)8(14)11-7-4-5-7/h7H,2-6H2,1H3,(H,11,14).
What are the key properties of 5-butylsulfonyl-N-cyclopropyl-1,3,4-thiadiazole-2-carboxamide?
5-butylsulfonyl-N-cyclopropyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylsulfonyl-N-cyclopropyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 57084109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).