N-cyclopropyl-N-(cyclopropylmethyl)-4-(methylamino)pyridine-3-sulfonamide

C13H19N3O2S — CID 64520844

IUPACN-cyclopropyl-N-(cyclopropylmethyl)-4-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccncc1S(=O)(=O)N(CC1CC1)C1CC1
InChIInChI=1S/C13H19N3O2S/c1-14-12-6-7-15-8-13(12)19(17,18)16(11-4-5-11)9-10-2-3-10/h6-8,10-11H,2-5,9H2,1H3,(H,14,15)
InChIKeyRAOLBFBAOBZRTD-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.69
Rot. Bonds6

About N-cyclopropyl-N-(cyclopropylmethyl)-4-(methylamino)pyridine-3-sulfonamide

N-cyclopropyl-N-(cyclopropylmethyl)-4-(methylamino)pyridine-3-sulfonamide (PubChem CID 64520844) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-cyclopropyl-N-(cyclopropylmethyl)-4-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(cyclopropylmethyl)-4-(methylamino)pyridine-3-sulfonamide
PubChem CID64520844
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-cyclopropyl-N-(cyclopropylmethyl)-4-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccncc1S(=O)(=O)N(CC1CC1)C1CC1
InChIInChI=1S/C13H19N3O2S/c1-14-12-6-7-15-8-13(12)19(17,18)16(11-4-5-11)9-10-2-3-10/h6-8,10-11H,2-5,9H2,1H3,(H,14,15)
InChIKeyRAOLBFBAOBZRTD-UHFFFAOYSA-N
XLogP1.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
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-N-(cyclopropylmethyl)-4-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-4-(methylamino)pyridine-3-sulfonamide (CID 64520844) is N-cyclopropyl-N-(cyclopropylmethyl)-4-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(cyclopropylmethyl)-4-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-(cyclopropylmethyl)-4-(methylamino)pyridine-3-sulfonamide is CNc1ccncc1S(=O)(=O)N(CC1CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(cyclopropylmethyl)-4-(methylamino)pyridine-3-sulfonamide?
The InChIKey is RAOLBFBAOBZRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-14-12-6-7-15-8-13(12)19(17,18)16(11-4-5-11)9-10-2-3-10/h6-8,10-11H,2-5,9H2,1H3,(H,14,15).
What are the key properties of N-cyclopropyl-N-(cyclopropylmethyl)-4-(methylamino)pyridine-3-sulfonamide?
N-cyclopropyl-N-(cyclopropylmethyl)-4-(methylamino)pyridine-3-sulfonamide has a molecular weight of 281.38 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-N-(cyclopropylmethyl)-4-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 64520844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).