1-[2-(2-aminoethylamino)propylsulfonyl]ethanol

C7H18N2O3S — CID 139898771

IUPAC1-[2-(2-aminoethylamino)propylsulfonyl]ethanol
SMILESCC(CS(=O)(=O)C(C)O)NCCN
InChIInChI=1S/C7H18N2O3S/c1-6(9-4-3-8)5-13(11,12)7(2)10/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyZDGLTSQXQJQQPS-UHFFFAOYSA-N
MW210.30 g/mol
LogP-1.32
Rot. Bonds6

About 1-[2-(2-aminoethylamino)propylsulfonyl]ethanol

1-[2-(2-aminoethylamino)propylsulfonyl]ethanol (PubChem CID 139898771) has the molecular formula C7H18N2O3S and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-[2-(2-aminoethylamino)propylsulfonyl]ethanol.

Molecular Properties

Compound Name1-[2-(2-aminoethylamino)propylsulfonyl]ethanol
PubChem CID139898771
Molecular FormulaC7H18N2O3S
Molecular Weight210.30 g/mol
Exact Mass210.10
IUPAC Name1-[2-(2-aminoethylamino)propylsulfonyl]ethanol
SMILESCC(CS(=O)(=O)C(C)O)NCCN
InChIInChI=1S/C7H18N2O3S/c1-6(9-4-3-8)5-13(11,12)7(2)10/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyZDGLTSQXQJQQPS-UHFFFAOYSA-N
XLogP-1.32
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethylamino)propylsulfonyl]ethanol?
The IUPAC name of 1-[2-(2-aminoethylamino)propylsulfonyl]ethanol (CID 139898771) is 1-[2-(2-aminoethylamino)propylsulfonyl]ethanol.
What is the SMILES notation for 1-[2-(2-aminoethylamino)propylsulfonyl]ethanol?
The canonical SMILES for 1-[2-(2-aminoethylamino)propylsulfonyl]ethanol is CC(CS(=O)(=O)C(C)O)NCCN.
What is the InChIKey of 1-[2-(2-aminoethylamino)propylsulfonyl]ethanol?
The InChIKey is ZDGLTSQXQJQQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3S/c1-6(9-4-3-8)5-13(11,12)7(2)10/h6-7,9-10H,3-5,8H2,1-2H3.
What are the key properties of 1-[2-(2-aminoethylamino)propylsulfonyl]ethanol?
1-[2-(2-aminoethylamino)propylsulfonyl]ethanol has a molecular weight of 210.30 g/mol, XLogP of -1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethylamino)propylsulfonyl]ethanol is sourced from PubChem (CID 139898771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).