N-(3-aminopropyl)-N-propan-2-ylpyridine-2-sulfonamide

C11H19N3O2S — CID 112519052

IUPACN-(3-aminopropyl)-N-propan-2-ylpyridine-2-sulfonamide
SMILESCC(C)N(CCCN)S(=O)(=O)c1ccccn1
InChIInChI=1S/C11H19N3O2S/c1-10(2)14(9-5-7-12)17(15,16)11-6-3-4-8-13-11/h3-4,6,8,10H,5,7,9,12H2,1-2H3
InChIKeySZFZMADHCJGIHF-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.83
Rot. Bonds6

About N-(3-aminopropyl)-N-propan-2-ylpyridine-2-sulfonamide

N-(3-aminopropyl)-N-propan-2-ylpyridine-2-sulfonamide (PubChem CID 112519052) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-propan-2-ylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-propan-2-ylpyridine-2-sulfonamide
PubChem CID112519052
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-(3-aminopropyl)-N-propan-2-ylpyridine-2-sulfonamide
SMILESCC(C)N(CCCN)S(=O)(=O)c1ccccn1
InChIInChI=1S/C11H19N3O2S/c1-10(2)14(9-5-7-12)17(15,16)11-6-3-4-8-13-11/h3-4,6,8,10H,5,7,9,12H2,1-2H3
InChIKeySZFZMADHCJGIHF-UHFFFAOYSA-N
XLogP0.83
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-propan-2-ylpyridine-2-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-propan-2-ylpyridine-2-sulfonamide (CID 112519052) is N-(3-aminopropyl)-N-propan-2-ylpyridine-2-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-propan-2-ylpyridine-2-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-propan-2-ylpyridine-2-sulfonamide is CC(C)N(CCCN)S(=O)(=O)c1ccccn1.
What is the InChIKey of N-(3-aminopropyl)-N-propan-2-ylpyridine-2-sulfonamide?
The InChIKey is SZFZMADHCJGIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-10(2)14(9-5-7-12)17(15,16)11-6-3-4-8-13-11/h3-4,6,8,10H,5,7,9,12H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-propan-2-ylpyridine-2-sulfonamide?
N-(3-aminopropyl)-N-propan-2-ylpyridine-2-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-propan-2-ylpyridine-2-sulfonamide is sourced from PubChem (CID 112519052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).