2-hydroxy-1-(tetradecylamino)propane-1-sulfonic acid

C17H37NO4S — CID 19762070

IUPAC2-hydroxy-1-(tetradecylamino)propane-1-sulfonic acid
SMILESCCCCCCCCCCCCCCNC(C(C)O)S(=O)(=O)O
InChIInChI=1S/C17H37NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-17(16(2)19)23(20,21)22/h16-19H,3-15H2,1-2H3,(H,20,21,22)
InChIKeyZQHSRNJDIUKUAJ-UHFFFAOYSA-N
MW351.55 g/mol
LogP3.87
Rot. Bonds16

About 2-hydroxy-1-(tetradecylamino)propane-1-sulfonic acid

2-hydroxy-1-(tetradecylamino)propane-1-sulfonic acid (PubChem CID 19762070) has the molecular formula C17H37NO4S and a molecular weight of 351.55 g/mol. Its IUPAC name is 2-hydroxy-1-(tetradecylamino)propane-1-sulfonic acid.

Molecular Properties

Compound Name2-hydroxy-1-(tetradecylamino)propane-1-sulfonic acid
PubChem CID19762070
Molecular FormulaC17H37NO4S
Molecular Weight351.55 g/mol
Exact Mass351.24
IUPAC Name2-hydroxy-1-(tetradecylamino)propane-1-sulfonic acid
SMILESCCCCCCCCCCCCCCNC(C(C)O)S(=O)(=O)O
InChIInChI=1S/C17H37NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-17(16(2)19)23(20,21)22/h16-19H,3-15H2,1-2H3,(H,20,21,22)
InChIKeyZQHSRNJDIUKUAJ-UHFFFAOYSA-N
XLogP3.87
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.55
LogP ≤ 53.87
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

1,2-bis(dodecylamino)ethane-1,2-disulfonic acid
CID 176894693
heptane;propan-2-ol;sulfuric acid
CID 87329461
N-(1-ethylsulfonylpropan-2-yl)hexan-1-amine
CID 115900569
1-(butylamino)ethanesulfonic acid
CID 88671365
1-(pentylamino)dodecan-1-ol
CID 88518034
1-(hexadecylamino)docosan-1-ol
CID 88518088
2-(tetradecylamino)propane-1,1-diol
CID 174762987
1-(octylamino)dodecan-1-ol
CID 88518081
(hexadecylamino)methanediol
CID 139772673
1-(dodecylamino)ethyl hydrogen sulfate
CID 166709195
sodium;2-(dodecylamino)propane-1-sulfonic acid;hydride
CID 173241970
N-(1-methylsulfonylpropan-2-yl)heptan-1-amine
CID 64629373

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(tetradecylamino)propane-1-sulfonic acid?
The IUPAC name of 2-hydroxy-1-(tetradecylamino)propane-1-sulfonic acid (CID 19762070) is 2-hydroxy-1-(tetradecylamino)propane-1-sulfonic acid.
What is the SMILES notation for 2-hydroxy-1-(tetradecylamino)propane-1-sulfonic acid?
The canonical SMILES for 2-hydroxy-1-(tetradecylamino)propane-1-sulfonic acid is CCCCCCCCCCCCCCNC(C(C)O)S(=O)(=O)O.
What is the InChIKey of 2-hydroxy-1-(tetradecylamino)propane-1-sulfonic acid?
The InChIKey is ZQHSRNJDIUKUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-17(16(2)19)23(20,21)22/h16-19H,3-15H2,1-2H3,(H,20,21,22).
What are the key properties of 2-hydroxy-1-(tetradecylamino)propane-1-sulfonic acid?
2-hydroxy-1-(tetradecylamino)propane-1-sulfonic acid has a molecular weight of 351.55 g/mol, XLogP of 3.87, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(tetradecylamino)propane-1-sulfonic acid is sourced from PubChem (CID 19762070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).