N-cyclopropyl-1-pyridin-4-ylmethanesulfonamide

C9H12N2O2S — CID 71649516

IUPACN-cyclopropyl-1-pyridin-4-ylmethanesulfonamide
SMILESO=S(=O)(Cc1ccncc1)NC1CC1
InChIInChI=1S/C9H12N2O2S/c12-14(13,11-9-1-2-9)7-8-3-5-10-6-4-8/h3-6,9,11H,1-2,7H2
InChIKeyAEGYMHWSFXFXIY-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.66
Rot. Bonds4

About N-cyclopropyl-1-pyridin-4-ylmethanesulfonamide

N-cyclopropyl-1-pyridin-4-ylmethanesulfonamide (PubChem CID 71649516) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is N-cyclopropyl-1-pyridin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1-pyridin-4-ylmethanesulfonamide
PubChem CID71649516
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC NameN-cyclopropyl-1-pyridin-4-ylmethanesulfonamide
SMILESO=S(=O)(Cc1ccncc1)NC1CC1
InChIInChI=1S/C9H12N2O2S/c12-14(13,11-9-1-2-9)7-8-3-5-10-6-4-8/h3-6,9,11H,1-2,7H2
InChIKeyAEGYMHWSFXFXIY-UHFFFAOYSA-N
XLogP0.66
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-pyridin-4-ylmethanesulfonamide?
The IUPAC name of N-cyclopropyl-1-pyridin-4-ylmethanesulfonamide (CID 71649516) is N-cyclopropyl-1-pyridin-4-ylmethanesulfonamide.
What is the SMILES notation for N-cyclopropyl-1-pyridin-4-ylmethanesulfonamide?
The canonical SMILES for N-cyclopropyl-1-pyridin-4-ylmethanesulfonamide is O=S(=O)(Cc1ccncc1)NC1CC1.
What is the InChIKey of N-cyclopropyl-1-pyridin-4-ylmethanesulfonamide?
The InChIKey is AEGYMHWSFXFXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-14(13,11-9-1-2-9)7-8-3-5-10-6-4-8/h3-6,9,11H,1-2,7H2.
What are the key properties of N-cyclopropyl-1-pyridin-4-ylmethanesulfonamide?
N-cyclopropyl-1-pyridin-4-ylmethanesulfonamide has a molecular weight of 212.27 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-pyridin-4-ylmethanesulfonamide is sourced from PubChem (CID 71649516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).