1-[2-hydroxy-3-(2-hydroxyethylamino)propyl]sulfanylpentane-2,3-diol

C10H23NO4S — CID 58100802

IUPAC1-[2-hydroxy-3-(2-hydroxyethylamino)propyl]sulfanylpentane-2,3-diol
SMILESCCC(O)C(O)CSCC(O)CNCCO
InChIInChI=1S/C10H23NO4S/c1-2-9(14)10(15)7-16-6-8(13)5-11-3-4-12/h8-15H,2-7H2,1H3
InChIKeyDKDIWIQYJYTTQO-UHFFFAOYSA-N
MW253.36 g/mol
LogP-1.21
Rot. Bonds10

About 1-[2-hydroxy-3-(2-hydroxyethylamino)propyl]sulfanylpentane-2,3-diol

1-[2-hydroxy-3-(2-hydroxyethylamino)propyl]sulfanylpentane-2,3-diol (PubChem CID 58100802) has the molecular formula C10H23NO4S and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(2-hydroxyethylamino)propyl]sulfanylpentane-2,3-diol.

Molecular Properties

Compound Name1-[2-hydroxy-3-(2-hydroxyethylamino)propyl]sulfanylpentane-2,3-diol
PubChem CID58100802
Molecular FormulaC10H23NO4S
Molecular Weight253.36 g/mol
Exact Mass253.13
IUPAC Name1-[2-hydroxy-3-(2-hydroxyethylamino)propyl]sulfanylpentane-2,3-diol
SMILESCCC(O)C(O)CSCC(O)CNCCO
InChIInChI=1S/C10H23NO4S/c1-2-9(14)10(15)7-16-6-8(13)5-11-3-4-12/h8-15H,2-7H2,1H3
InChIKeyDKDIWIQYJYTTQO-UHFFFAOYSA-N
XLogP-1.21
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 5-1.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(2-hydroxyethylamino)propyl]sulfanylpentane-2,3-diol?
The IUPAC name of 1-[2-hydroxy-3-(2-hydroxyethylamino)propyl]sulfanylpentane-2,3-diol (CID 58100802) is 1-[2-hydroxy-3-(2-hydroxyethylamino)propyl]sulfanylpentane-2,3-diol.
What is the SMILES notation for 1-[2-hydroxy-3-(2-hydroxyethylamino)propyl]sulfanylpentane-2,3-diol?
The canonical SMILES for 1-[2-hydroxy-3-(2-hydroxyethylamino)propyl]sulfanylpentane-2,3-diol is CCC(O)C(O)CSCC(O)CNCCO.
What is the InChIKey of 1-[2-hydroxy-3-(2-hydroxyethylamino)propyl]sulfanylpentane-2,3-diol?
The InChIKey is DKDIWIQYJYTTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4S/c1-2-9(14)10(15)7-16-6-8(13)5-11-3-4-12/h8-15H,2-7H2,1H3.
What are the key properties of 1-[2-hydroxy-3-(2-hydroxyethylamino)propyl]sulfanylpentane-2,3-diol?
1-[2-hydroxy-3-(2-hydroxyethylamino)propyl]sulfanylpentane-2,3-diol has a molecular weight of 253.36 g/mol, XLogP of -1.21, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(2-hydroxyethylamino)propyl]sulfanylpentane-2,3-diol is sourced from PubChem (CID 58100802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).