N-cyclopropyl-2-(methylamino)-N-propylpyridine-4-sulfonamide

C12H19N3O2S — CID 62144804

IUPACN-cyclopropyl-2-(methylamino)-N-propylpyridine-4-sulfonamide
SMILESCCCN(C1CC1)S(=O)(=O)c1ccnc(NC)c1
InChIInChI=1S/C12H19N3O2S/c1-3-8-15(10-4-5-10)18(16,17)11-6-7-14-12(9-11)13-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,13,14)
InChIKeyPKNVPDJVKDCFHK-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.69
Rot. Bonds6

About N-cyclopropyl-2-(methylamino)-N-propylpyridine-4-sulfonamide

N-cyclopropyl-2-(methylamino)-N-propylpyridine-4-sulfonamide (PubChem CID 62144804) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-cyclopropyl-2-(methylamino)-N-propylpyridine-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(methylamino)-N-propylpyridine-4-sulfonamide
PubChem CID62144804
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-cyclopropyl-2-(methylamino)-N-propylpyridine-4-sulfonamide
SMILESCCCN(C1CC1)S(=O)(=O)c1ccnc(NC)c1
InChIInChI=1S/C12H19N3O2S/c1-3-8-15(10-4-5-10)18(16,17)11-6-7-14-12(9-11)13-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,13,14)
InChIKeyPKNVPDJVKDCFHK-UHFFFAOYSA-N
XLogP1.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(methylamino)-N-propylpyridine-4-sulfonamide?
The IUPAC name of N-cyclopropyl-2-(methylamino)-N-propylpyridine-4-sulfonamide (CID 62144804) is N-cyclopropyl-2-(methylamino)-N-propylpyridine-4-sulfonamide.
What is the SMILES notation for N-cyclopropyl-2-(methylamino)-N-propylpyridine-4-sulfonamide?
The canonical SMILES for N-cyclopropyl-2-(methylamino)-N-propylpyridine-4-sulfonamide is CCCN(C1CC1)S(=O)(=O)c1ccnc(NC)c1.
What is the InChIKey of N-cyclopropyl-2-(methylamino)-N-propylpyridine-4-sulfonamide?
The InChIKey is PKNVPDJVKDCFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-3-8-15(10-4-5-10)18(16,17)11-6-7-14-12(9-11)13-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,13,14).
What are the key properties of N-cyclopropyl-2-(methylamino)-N-propylpyridine-4-sulfonamide?
N-cyclopropyl-2-(methylamino)-N-propylpyridine-4-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(methylamino)-N-propylpyridine-4-sulfonamide is sourced from PubChem (CID 62144804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).