N-(2-aminoethyl)propane-1-sulfonamide

C5H14N2O2S — CID 13030948

IUPACN-(2-aminoethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCN
InChIInChI=1S/C5H14N2O2S/c1-2-5-10(8,9)7-4-3-6/h7H,2-6H2,1H3
InChIKeyRPDUFQVWNZMMKO-UHFFFAOYSA-N
MW166.25 g/mol
LogP-0.73
Rot. Bonds5

About N-(2-aminoethyl)propane-1-sulfonamide

N-(2-aminoethyl)propane-1-sulfonamide (PubChem CID 13030948) has the molecular formula C5H14N2O2S and a molecular weight of 166.25 g/mol. Its IUPAC name is N-(2-aminoethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)propane-1-sulfonamide
PubChem CID13030948
Molecular FormulaC5H14N2O2S
Molecular Weight166.25 g/mol
Exact Mass166.08
IUPAC NameN-(2-aminoethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCN
InChIInChI=1S/C5H14N2O2S/c1-2-5-10(8,9)7-4-3-6/h7H,2-6H2,1H3
InChIKeyRPDUFQVWNZMMKO-UHFFFAOYSA-N
XLogP-0.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)propane-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)propane-1-sulfonamide (CID 13030948) is N-(2-aminoethyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)propane-1-sulfonamide is CCCS(=O)(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)propane-1-sulfonamide?
The InChIKey is RPDUFQVWNZMMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2S/c1-2-5-10(8,9)7-4-3-6/h7H,2-6H2,1H3.
What are the key properties of N-(2-aminoethyl)propane-1-sulfonamide?
N-(2-aminoethyl)propane-1-sulfonamide has a molecular weight of 166.25 g/mol, XLogP of -0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)propane-1-sulfonamide is sourced from PubChem (CID 13030948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).