N-(3-aminopropyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide

C11H24N2O4S2 — CID 55173884

IUPACN-(3-aminopropyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)N(CCCN)C1CCCC1
InChIInChI=1S/C11H24N2O4S2/c1-18(14,15)9-10-19(16,17)13(8-4-7-12)11-5-2-3-6-11/h11H,2-10,12H2,1H3
InChIKeyAIABDMBBJXKXBV-UHFFFAOYSA-N
MW312.46 g/mol
LogP-0.05
Rot. Bonds8

About N-(3-aminopropyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide

N-(3-aminopropyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide (PubChem CID 55173884) has the molecular formula C11H24N2O4S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide
PubChem CID55173884
Molecular FormulaC11H24N2O4S2
Molecular Weight312.46 g/mol
Exact Mass312.12
IUPAC NameN-(3-aminopropyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)N(CCCN)C1CCCC1
InChIInChI=1S/C11H24N2O4S2/c1-18(14,15)9-10-19(16,17)13(8-4-7-12)11-5-2-3-6-11/h11H,2-10,12H2,1H3
InChIKeyAIABDMBBJXKXBV-UHFFFAOYSA-N
XLogP-0.05
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide (CID 55173884) is N-(3-aminopropyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide is CS(=O)(=O)CCS(=O)(=O)N(CCCN)C1CCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide?
The InChIKey is AIABDMBBJXKXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S2/c1-18(14,15)9-10-19(16,17)13(8-4-7-12)11-5-2-3-6-11/h11H,2-10,12H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide?
N-(3-aminopropyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide has a molecular weight of 312.46 g/mol, XLogP of -0.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 55173884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).