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

C11H19N5O2S2 — CID 167872663

IUPAC3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N,N-dimethylazetidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(NCc2nnc(C3CC3)s2)C1
InChIInChI=1S/C11H19N5O2S2/c1-15(2)20(17,18)16-6-9(7-16)12-5-10-13-14-11(19-10)8-3-4-8/h8-9,12H,3-7H2,1-2H3
InChIKeyPLWLJNBIZSHKMQ-UHFFFAOYSA-N
MW317.44 g/mol
LogP-0.00
Rot. Bonds6

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

3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N,N-dimethylazetidine-1-sulfonamide (PubChem CID 167872663) has the molecular formula C11H19N5O2S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N,N-dimethylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N,N-dimethylazetidine-1-sulfonamide
PubChem CID167872663
Molecular FormulaC11H19N5O2S2
Molecular Weight317.44 g/mol
Exact Mass317.10
IUPAC Name3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N,N-dimethylazetidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(NCc2nnc(C3CC3)s2)C1
InChIInChI=1S/C11H19N5O2S2/c1-15(2)20(17,18)16-6-9(7-16)12-5-10-13-14-11(19-10)8-3-4-8/h8-9,12H,3-7H2,1-2H3
InChIKeyPLWLJNBIZSHKMQ-UHFFFAOYSA-N
XLogP-0.00
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N,N-dimethylazetidine-1-sulfonamide?
The IUPAC name of 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N,N-dimethylazetidine-1-sulfonamide (CID 167872663) is 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N,N-dimethylazetidine-1-sulfonamide.
What is the SMILES notation for 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N,N-dimethylazetidine-1-sulfonamide?
The canonical SMILES for 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N,N-dimethylazetidine-1-sulfonamide is CN(C)S(=O)(=O)N1CC(NCc2nnc(C3CC3)s2)C1.
What is the InChIKey of 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N,N-dimethylazetidine-1-sulfonamide?
The InChIKey is PLWLJNBIZSHKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S2/c1-15(2)20(17,18)16-6-9(7-16)12-5-10-13-14-11(19-10)8-3-4-8/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N,N-dimethylazetidine-1-sulfonamide?
3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N,N-dimethylazetidine-1-sulfonamide has a molecular weight of 317.44 g/mol, XLogP of -0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N,N-dimethylazetidine-1-sulfonamide is sourced from PubChem (CID 167872663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).