2-amino-N-propylethanesulfonamide

C5H14N2O2S — CID 16785918

IUPAC2-amino-N-propylethanesulfonamide
SMILESCCCNS(=O)(=O)CCN
InChIInChI=1S/C5H14N2O2S/c1-2-4-7-10(8,9)5-3-6/h7H,2-6H2,1H3
InChIKeyFPESCRHVPDYHST-UHFFFAOYSA-N
MW166.25 g/mol
LogP-0.73
Rot. Bonds5

About 2-amino-N-propylethanesulfonamide

2-amino-N-propylethanesulfonamide (PubChem CID 16785918) has the molecular formula C5H14N2O2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 2-amino-N-propylethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-propylethanesulfonamide
PubChem CID16785918
Molecular FormulaC5H14N2O2S
Molecular Weight166.25 g/mol
Exact Mass166.08
IUPAC Name2-amino-N-propylethanesulfonamide
SMILESCCCNS(=O)(=O)CCN
InChIInChI=1S/C5H14N2O2S/c1-2-4-7-10(8,9)5-3-6/h7H,2-6H2,1H3
InChIKeyFPESCRHVPDYHST-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 2-amino-N-propylethanesulfonamide?
The IUPAC name of 2-amino-N-propylethanesulfonamide (CID 16785918) is 2-amino-N-propylethanesulfonamide.
What is the SMILES notation for 2-amino-N-propylethanesulfonamide?
The canonical SMILES for 2-amino-N-propylethanesulfonamide is CCCNS(=O)(=O)CCN.
What is the InChIKey of 2-amino-N-propylethanesulfonamide?
The InChIKey is FPESCRHVPDYHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2S/c1-2-4-7-10(8,9)5-3-6/h7H,2-6H2,1H3.
What are the key properties of 2-amino-N-propylethanesulfonamide?
2-amino-N-propylethanesulfonamide 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 2-amino-N-propylethanesulfonamide is sourced from PubChem (CID 16785918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).