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

C5H14N2O2S — CID 13030949

IUPACN-(2-aminoethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCN
InChIInChI=1S/C5H14N2O2S/c1-5(2)10(8,9)7-4-3-6/h5,7H,3-4,6H2,1-2H3
InChIKeyCMOQFPOKDUPWFT-UHFFFAOYSA-N
MW166.25 g/mol
LogP-0.73
Rot. Bonds4

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

N-(2-aminoethyl)propane-2-sulfonamide (PubChem CID 13030949) has the molecular formula C5H14N2O2S and a molecular weight of 166.25 g/mol. Its IUPAC name is N-(2-aminoethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)propane-2-sulfonamide
PubChem CID13030949
Molecular FormulaC5H14N2O2S
Molecular Weight166.25 g/mol
Exact Mass166.08
IUPAC NameN-(2-aminoethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCN
InChIInChI=1S/C5H14N2O2S/c1-5(2)10(8,9)7-4-3-6/h5,7H,3-4,6H2,1-2H3
InChIKeyCMOQFPOKDUPWFT-UHFFFAOYSA-N
XLogP-0.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

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N-[2-(ethylsulfonylamino)ethyl]ethanesulfonamide
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N-[2-(butylsulfonylamino)ethyl]butane-1-sulfonamide
CID 44434526
3-amino-N-hydroxy-N-methylpropane-1-sulfonamide;hydrobromide
CID 45260078
N-ethylethane-1-sulfonamide
CID 3302035
3-Aminopropane-1-sulfonamide hydrochloride
CID 20031880

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)propane-2-sulfonamide?
The IUPAC name of N-(2-aminoethyl)propane-2-sulfonamide (CID 13030949) is N-(2-aminoethyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)propane-2-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)propane-2-sulfonamide?
The InChIKey is CMOQFPOKDUPWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2S/c1-5(2)10(8,9)7-4-3-6/h5,7H,3-4,6H2,1-2H3.
What are the key properties of N-(2-aminoethyl)propane-2-sulfonamide?
N-(2-aminoethyl)propane-2-sulfonamide has a molecular weight of 166.25 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)propane-2-sulfonamide is sourced from PubChem (CID 13030949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).