N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]cyclobutyl]methanesulfonamide

C11H18N4O2S2 — CID 167894363

IUPACN-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]cyclobutyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC(NCc2nnc(C3CC3)s2)C1
InChIInChI=1S/C11H18N4O2S2/c1-19(16,17)15-9-4-8(5-9)12-6-10-13-14-11(18-10)7-2-3-7/h7-9,12,15H,2-6H2,1H3
InChIKeyGGTFJAIWTCIZNZ-UHFFFAOYSA-N
MW302.43 g/mol
LogP0.59
Rot. Bonds6

About N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]cyclobutyl]methanesulfonamide

N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]cyclobutyl]methanesulfonamide (PubChem CID 167894363) has the molecular formula C11H18N4O2S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]cyclobutyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]cyclobutyl]methanesulfonamide
PubChem CID167894363
Molecular FormulaC11H18N4O2S2
Molecular Weight302.43 g/mol
Exact Mass302.09
IUPAC NameN-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]cyclobutyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC(NCc2nnc(C3CC3)s2)C1
InChIInChI=1S/C11H18N4O2S2/c1-19(16,17)15-9-4-8(5-9)12-6-10-13-14-11(18-10)7-2-3-7/h7-9,12,15H,2-6H2,1H3
InChIKeyGGTFJAIWTCIZNZ-UHFFFAOYSA-N
XLogP0.59
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]cyclobutyl]methanesulfonamide?
The IUPAC name of N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]cyclobutyl]methanesulfonamide (CID 167894363) is N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]cyclobutyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]cyclobutyl]methanesulfonamide?
The canonical SMILES for N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]cyclobutyl]methanesulfonamide is CS(=O)(=O)NC1CC(NCc2nnc(C3CC3)s2)C1.
What is the InChIKey of N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]cyclobutyl]methanesulfonamide?
The InChIKey is GGTFJAIWTCIZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S2/c1-19(16,17)15-9-4-8(5-9)12-6-10-13-14-11(18-10)7-2-3-7/h7-9,12,15H,2-6H2,1H3.
What are the key properties of N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]cyclobutyl]methanesulfonamide?
N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]cyclobutyl]methanesulfonamide has a molecular weight of 302.43 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]cyclobutyl]methanesulfonamide is sourced from PubChem (CID 167894363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).