N-(3-aminopropyl)-N-(2-methylphenyl)pyrrolidine-1-sulfonamide

C14H23N3O2S — CID 43318687

IUPACN-(3-aminopropyl)-N-(2-methylphenyl)pyrrolidine-1-sulfonamide
SMILESCc1ccccc1N(CCCN)S(=O)(=O)N1CCCC1
InChIInChI=1S/C14H23N3O2S/c1-13-7-2-3-8-14(13)17(12-6-9-15)20(18,19)16-10-4-5-11-16/h2-3,7-8H,4-6,9-12,15H2,1H3
InChIKeyXNFKMIFRZXHQRM-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.49
Rot. Bonds6

About N-(3-aminopropyl)-N-(2-methylphenyl)pyrrolidine-1-sulfonamide

N-(3-aminopropyl)-N-(2-methylphenyl)pyrrolidine-1-sulfonamide (PubChem CID 43318687) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(2-methylphenyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(2-methylphenyl)pyrrolidine-1-sulfonamide
PubChem CID43318687
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-(3-aminopropyl)-N-(2-methylphenyl)pyrrolidine-1-sulfonamide
SMILESCc1ccccc1N(CCCN)S(=O)(=O)N1CCCC1
InChIInChI=1S/C14H23N3O2S/c1-13-7-2-3-8-14(13)17(12-6-9-15)20(18,19)16-10-4-5-11-16/h2-3,7-8H,4-6,9-12,15H2,1H3
InChIKeyXNFKMIFRZXHQRM-UHFFFAOYSA-N
XLogP1.49
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(2-methylphenyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-(2-methylphenyl)pyrrolidine-1-sulfonamide (CID 43318687) is N-(3-aminopropyl)-N-(2-methylphenyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(2-methylphenyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-(2-methylphenyl)pyrrolidine-1-sulfonamide is Cc1ccccc1N(CCCN)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-(2-methylphenyl)pyrrolidine-1-sulfonamide?
The InChIKey is XNFKMIFRZXHQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-13-7-2-3-8-14(13)17(12-6-9-15)20(18,19)16-10-4-5-11-16/h2-3,7-8H,4-6,9-12,15H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-(2-methylphenyl)pyrrolidine-1-sulfonamide?
N-(3-aminopropyl)-N-(2-methylphenyl)pyrrolidine-1-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(2-methylphenyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 43318687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).