N-(1-imidazol-1-ylpropan-2-yl)-3-(methylamino)pyridine-2-sulfonamide

C12H17N5O2S — CID 103305515

IUPACN-(1-imidazol-1-ylpropan-2-yl)-3-(methylamino)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C12H17N5O2S/c1-10(8-17-7-6-14-9-17)16-20(18,19)12-11(13-2)4-3-5-15-12/h3-7,9-10,13,16H,8H2,1-2H3
InChIKeyUCQIJGLMJYVDAU-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.69
Rot. Bonds6

About N-(1-imidazol-1-ylpropan-2-yl)-3-(methylamino)pyridine-2-sulfonamide

N-(1-imidazol-1-ylpropan-2-yl)-3-(methylamino)pyridine-2-sulfonamide (PubChem CID 103305515) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-3-(methylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-3-(methylamino)pyridine-2-sulfonamide
PubChem CID103305515
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-3-(methylamino)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C12H17N5O2S/c1-10(8-17-7-6-14-9-17)16-20(18,19)12-11(13-2)4-3-5-15-12/h3-7,9-10,13,16H,8H2,1-2H3
InChIKeyUCQIJGLMJYVDAU-UHFFFAOYSA-N
XLogP0.69
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide
CID 62152924
3-(1-imidazol-1-ylpropan-2-ylsulfamoyl)pyridine-2-carbothioamide
CID 106596888
2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 81242155
N-heptan-2-yl-3-(methylamino)pyridine-2-sulfonamide
CID 103305626
4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61480807
1-[2-(sulfamoylamino)propyl]imidazole
CID 112686375
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-2-sulfonamide
CID 103304330
N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103304534
5-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479509
2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479287
4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479552
3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479595

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-3-(methylamino)pyridine-2-sulfonamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-3-(methylamino)pyridine-2-sulfonamide (CID 103305515) is N-(1-imidazol-1-ylpropan-2-yl)-3-(methylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-3-(methylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-3-(methylamino)pyridine-2-sulfonamide is CNc1cccnc1S(=O)(=O)NC(C)Cn1ccnc1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-3-(methylamino)pyridine-2-sulfonamide?
The InChIKey is UCQIJGLMJYVDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-10(8-17-7-6-14-9-17)16-20(18,19)12-11(13-2)4-3-5-15-12/h3-7,9-10,13,16H,8H2,1-2H3.
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-3-(methylamino)pyridine-2-sulfonamide?
N-(1-imidazol-1-ylpropan-2-yl)-3-(methylamino)pyridine-2-sulfonamide has a molecular weight of 295.37 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-3-(methylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103305515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).