5-(2-hydroxyethylamino)pentane-1-sulfonic acid

C7H17NO4S — CID 20545792

IUPAC5-(2-hydroxyethylamino)pentane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCNCCO
InChIInChI=1S/C7H17NO4S/c9-6-5-8-4-2-1-3-7-13(10,11)12/h8-9H,1-7H2,(H,10,11,12)
InChIKeyDLJFHDPWZHFJKZ-UHFFFAOYSA-N
MW211.28 g/mol
LogP-0.37
Rot. Bonds8

About 5-(2-hydroxyethylamino)pentane-1-sulfonic acid

5-(2-hydroxyethylamino)pentane-1-sulfonic acid (PubChem CID 20545792) has the molecular formula C7H17NO4S and a molecular weight of 211.28 g/mol. Its IUPAC name is 5-(2-hydroxyethylamino)pentane-1-sulfonic acid.

Molecular Properties

Compound Name5-(2-hydroxyethylamino)pentane-1-sulfonic acid
PubChem CID20545792
Molecular FormulaC7H17NO4S
Molecular Weight211.28 g/mol
Exact Mass211.09
IUPAC Name5-(2-hydroxyethylamino)pentane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCNCCO
InChIInChI=1S/C7H17NO4S/c9-6-5-8-4-2-1-3-7-13(10,11)12/h8-9H,1-7H2,(H,10,11,12)
InChIKeyDLJFHDPWZHFJKZ-UHFFFAOYSA-N
XLogP-0.37
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-(17-aminoheptadecylamino)butane-1-sulfonic acid
CID 21316228
ethanesulfonic acid;2-(octadecylamino)ethanol
CID 20512907
18-hydroxyoctadecane-1-sulfonic acid
CID 22372907
16-hydroxyhexadecane-1-sulfonic acid
CID 19978840
octane-1,8-disulfonic acid
CID 18172926
3-(6-chlorohexylamino)propane-1-sulfonic acid
CID 150387365
3-(17-aminoheptadecylamino)propane-1-sulfonic acid
CID 88797991
pentane-1,5-disulfonic acid;hydrate
CID 133062445
2-(16-sulfohexadecylamino)acetic acid
CID 22833417
3-(2-aminoethylamino)propane-1-sulfonic acid;azane
CID 175205538
6-(3-ethoxypropylamino)hexane-1-sulfonic acid
CID 151406312
sodium;hydride;octadecane-1,18-disulfonic acid
CID 174554044

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethylamino)pentane-1-sulfonic acid?
The IUPAC name of 5-(2-hydroxyethylamino)pentane-1-sulfonic acid (CID 20545792) is 5-(2-hydroxyethylamino)pentane-1-sulfonic acid.
What is the SMILES notation for 5-(2-hydroxyethylamino)pentane-1-sulfonic acid?
The canonical SMILES for 5-(2-hydroxyethylamino)pentane-1-sulfonic acid is O=S(=O)(O)CCCCCNCCO.
What is the InChIKey of 5-(2-hydroxyethylamino)pentane-1-sulfonic acid?
The InChIKey is DLJFHDPWZHFJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO4S/c9-6-5-8-4-2-1-3-7-13(10,11)12/h8-9H,1-7H2,(H,10,11,12).
What are the key properties of 5-(2-hydroxyethylamino)pentane-1-sulfonic acid?
5-(2-hydroxyethylamino)pentane-1-sulfonic acid has a molecular weight of 211.28 g/mol, XLogP of -0.37, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethylamino)pentane-1-sulfonic acid is sourced from PubChem (CID 20545792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).