5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyridine-2-sulfonamide

C11H13N5O2S2 — CID 106081360

IUPAC5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyridine-2-sulfonamide
SMILESO=S(=O)(Nc1nncs1)c1ccc(CNC2CC2)cn1
InChIInChI=1S/C11H13N5O2S2/c17-20(18,16-11-15-14-7-19-11)10-4-1-8(6-13-10)5-12-9-2-3-9/h1,4,6-7,9,12H,2-3,5H2,(H,15,16)
InChIKeyYFGAYTJKMUERJU-UHFFFAOYSA-N
MW311.39 g/mol
LogP0.99
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyridine-2-sulfonamide

5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyridine-2-sulfonamide (PubChem CID 106081360) has the molecular formula C11H13N5O2S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyridine-2-sulfonamide
PubChem CID106081360
Molecular FormulaC11H13N5O2S2
Molecular Weight311.39 g/mol
Exact Mass311.05
IUPAC Name5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyridine-2-sulfonamide
SMILESO=S(=O)(Nc1nncs1)c1ccc(CNC2CC2)cn1
InChIInChI=1S/C11H13N5O2S2/c17-20(18,16-11-15-14-7-19-11)10-4-1-8(6-13-10)5-12-9-2-3-9/h1,4,6-7,9,12H,2-3,5H2,(H,15,16)
InChIKeyYFGAYTJKMUERJU-UHFFFAOYSA-N
XLogP0.99
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide
CID 106081150
2-[(cyclopropylamino)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide
CID 106081251
5-[(cyclopropylamino)methyl]-N-(2-methylbutan-2-yl)pyridine-2-sulfonamide
CID 106031617
3-[(cyclopropylamino)methyl]-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-sulfonamide
CID 106081354
5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)pyridine-2-sulfonamide
CID 106082374
5-[2-(cyclopropylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 106081177
5-(methylaminomethyl)-N-(1,3-thiazol-2-yl)pyridine-2-sulfonamide
CID 114138839
5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)pyridine-2-sulfonamide
CID 106031744
N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine
CID 53385515
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
5-[(cyclopropylamino)methyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031635
N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106058846

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyridine-2-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyridine-2-sulfonamide (CID 106081360) is 5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyridine-2-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyridine-2-sulfonamide is O=S(=O)(Nc1nncs1)c1ccc(CNC2CC2)cn1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyridine-2-sulfonamide?
The InChIKey is YFGAYTJKMUERJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S2/c17-20(18,16-11-15-14-7-19-11)10-4-1-8(6-13-10)5-12-9-2-3-9/h1,4,6-7,9,12H,2-3,5H2,(H,15,16).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyridine-2-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyridine-2-sulfonamide has a molecular weight of 311.39 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 106081360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).