N-tert-butyl-6-(cyclopropylamino)pyridine-3-sulfonamide

C12H19N3O2S — CID 98018239

IUPACN-tert-butyl-6-(cyclopropylamino)pyridine-3-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC2CC2)nc1
InChIInChI=1S/C12H19N3O2S/c1-12(2,3)15-18(16,17)10-6-7-11(13-8-10)14-9-4-5-9/h6-9,15H,4-5H2,1-3H3,(H,13,14)
InChIKeyXAIAFDNMNQSRRA-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.73
Rot. Bonds4

About N-tert-butyl-6-(cyclopropylamino)pyridine-3-sulfonamide

N-tert-butyl-6-(cyclopropylamino)pyridine-3-sulfonamide (PubChem CID 98018239) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-tert-butyl-6-(cyclopropylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-6-(cyclopropylamino)pyridine-3-sulfonamide
PubChem CID98018239
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-tert-butyl-6-(cyclopropylamino)pyridine-3-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC2CC2)nc1
InChIInChI=1S/C12H19N3O2S/c1-12(2,3)15-18(16,17)10-6-7-11(13-8-10)14-9-4-5-9/h6-9,15H,4-5H2,1-3H3,(H,13,14)
InChIKeyXAIAFDNMNQSRRA-UHFFFAOYSA-N
XLogP1.73
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-6-(cyclopropylamino)pyridine-3-sulfonamide
CID 96664227
6-(cyclopent-3-en-1-ylamino)-N-methylpyridine-3-sulfonamide
CID 133362208
6-[(4-aminocyclohexyl)amino]pyridine-3-sulfonamide
CID 62321102
1-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
CID 122090461
N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide
CID 154779474
N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropane-2-sulfonamide
CID 115274852
6-[(4-hydroxycyclohexyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103623850
(2S)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methylsulfanylbutanamide
CID 124882199
(2R)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methyl-3-methylsulfanylpropanamide
CID 124882355
4-N-tert-butyl-1-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine
CID 155222928
N-cyclopropyl-6-(propan-2-ylamino)pyridine-3-sulfonamide
CID 96664604
4-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoylamino]butanoic acid
CID 122090456

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(cyclopropylamino)pyridine-3-sulfonamide?
The IUPAC name of N-tert-butyl-6-(cyclopropylamino)pyridine-3-sulfonamide (CID 98018239) is N-tert-butyl-6-(cyclopropylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-tert-butyl-6-(cyclopropylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-tert-butyl-6-(cyclopropylamino)pyridine-3-sulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(NC2CC2)nc1.
What is the InChIKey of N-tert-butyl-6-(cyclopropylamino)pyridine-3-sulfonamide?
The InChIKey is XAIAFDNMNQSRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-12(2,3)15-18(16,17)10-6-7-11(13-8-10)14-9-4-5-9/h6-9,15H,4-5H2,1-3H3,(H,13,14).
What are the key properties of N-tert-butyl-6-(cyclopropylamino)pyridine-3-sulfonamide?
N-tert-butyl-6-(cyclopropylamino)pyridine-3-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(cyclopropylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 98018239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).