N-cyclopropyl-6-(propan-2-ylamino)pyridine-3-sulfonamide

C11H17N3O2S — CID 96664604

IUPACN-cyclopropyl-6-(propan-2-ylamino)pyridine-3-sulfonamide
SMILESCC(C)Nc1ccc(S(=O)(=O)NC2CC2)cn1
InChIInChI=1S/C11H17N3O2S/c1-8(2)13-11-6-5-10(7-12-11)17(15,16)14-9-3-4-9/h5-9,14H,3-4H2,1-2H3,(H,12,13)
InChIKeyMFZKHALDOTUSJD-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.34
Rot. Bonds5

About N-cyclopropyl-6-(propan-2-ylamino)pyridine-3-sulfonamide

N-cyclopropyl-6-(propan-2-ylamino)pyridine-3-sulfonamide (PubChem CID 96664604) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-cyclopropyl-6-(propan-2-ylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-6-(propan-2-ylamino)pyridine-3-sulfonamide
PubChem CID96664604
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-cyclopropyl-6-(propan-2-ylamino)pyridine-3-sulfonamide
SMILESCC(C)Nc1ccc(S(=O)(=O)NC2CC2)cn1
InChIInChI=1S/C11H17N3O2S/c1-8(2)13-11-6-5-10(7-12-11)17(15,16)14-9-3-4-9/h5-9,14H,3-4H2,1-2H3,(H,12,13)
InChIKeyMFZKHALDOTUSJD-UHFFFAOYSA-N
XLogP1.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(propan-2-ylamino)pyridine-3-sulfonamide?
The IUPAC name of N-cyclopropyl-6-(propan-2-ylamino)pyridine-3-sulfonamide (CID 96664604) is N-cyclopropyl-6-(propan-2-ylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-cyclopropyl-6-(propan-2-ylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-cyclopropyl-6-(propan-2-ylamino)pyridine-3-sulfonamide is CC(C)Nc1ccc(S(=O)(=O)NC2CC2)cn1.
What is the InChIKey of N-cyclopropyl-6-(propan-2-ylamino)pyridine-3-sulfonamide?
The InChIKey is MFZKHALDOTUSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8(2)13-11-6-5-10(7-12-11)17(15,16)14-9-3-4-9/h5-9,14H,3-4H2,1-2H3,(H,12,13).
What are the key properties of N-cyclopropyl-6-(propan-2-ylamino)pyridine-3-sulfonamide?
N-cyclopropyl-6-(propan-2-ylamino)pyridine-3-sulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(propan-2-ylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 96664604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).