sodium;2-(dodecylamino)propane-1-sulfonic acid;hydride

C15H34NNaO3S — CID 173241970

IUPACsodium;2-(dodecylamino)propane-1-sulfonic acid;hydride
SMILESCCCCCCCCCCCCNC(C)CS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C15H33NO3S.Na.H/c1-3-4-5-6-7-8-9-10-11-12-13-16-15(2)14-20(17,18)19;;/h15-16H,3-14H2,1-2H3,(H,17,18,19);;/q;+1;-1
InChIKeyMNJUKFKMAVXMOR-UHFFFAOYSA-N
MW331.50 g/mol
LogP0.89
Rot. Bonds14

About sodium;2-(dodecylamino)propane-1-sulfonic acid;hydride

sodium;2-(dodecylamino)propane-1-sulfonic acid;hydride (PubChem CID 173241970) has the molecular formula C15H34NNaO3S and a molecular weight of 331.50 g/mol. Its IUPAC name is sodium;2-(dodecylamino)propane-1-sulfonic acid;hydride.

Molecular Properties

Compound Namesodium;2-(dodecylamino)propane-1-sulfonic acid;hydride
PubChem CID173241970
Molecular FormulaC15H34NNaO3S
Molecular Weight331.50 g/mol
Exact Mass331.22
IUPAC Namesodium;2-(dodecylamino)propane-1-sulfonic acid;hydride
SMILESCCCCCCCCCCCCNC(C)CS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C15H33NO3S.Na.H/c1-3-4-5-6-7-8-9-10-11-12-13-16-15(2)14-20(17,18)19;;/h15-16H,3-14H2,1-2H3,(H,17,18,19);;/q;+1;-1
InChIKeyMNJUKFKMAVXMOR-UHFFFAOYSA-N
XLogP0.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-(1-ethylsulfonylpropan-2-yl)hexan-1-amine
CID 115900569
N-(1-methylsulfonylpropan-2-yl)heptan-1-amine
CID 64629373
3-(octylamino)butane-1-sulfonic acid
CID 146216450
(2S)-2-(hexylamino)propan-1-ol
CID 88509072
2-(pentadecan-2-ylamino)ethanesulfonic acid
CID 12698311
3-(octylamino)butan-1-ol
CID 83177243
N-butan-2-yldodecan-1-amine
CID 63489622
N-butan-2-ylundecan-1-amine
CID 151961423
1,2-bis(dodecylamino)ethane-1,2-disulfonic acid
CID 176894693
sodium;hydride;sulfuric acid;undecane
CID 172996516
3-(undecylamino)butanoic acid
CID 57087674
N-heptan-2-ylheptan-1-amine
CID 43572726

Frequently Asked Questions

What is the IUPAC name of sodium;2-(dodecylamino)propane-1-sulfonic acid;hydride?
The IUPAC name of sodium;2-(dodecylamino)propane-1-sulfonic acid;hydride (CID 173241970) is sodium;2-(dodecylamino)propane-1-sulfonic acid;hydride.
What is the SMILES notation for sodium;2-(dodecylamino)propane-1-sulfonic acid;hydride?
The canonical SMILES for sodium;2-(dodecylamino)propane-1-sulfonic acid;hydride is CCCCCCCCCCCCNC(C)CS(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;2-(dodecylamino)propane-1-sulfonic acid;hydride?
The InChIKey is MNJUKFKMAVXMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO3S.Na.H/c1-3-4-5-6-7-8-9-10-11-12-13-16-15(2)14-20(17,18)19;;/h15-16H,3-14H2,1-2H3,(H,17,18,19);;/q;+1;-1.
What are the key properties of sodium;2-(dodecylamino)propane-1-sulfonic acid;hydride?
sodium;2-(dodecylamino)propane-1-sulfonic acid;hydride has a molecular weight of 331.50 g/mol, XLogP of 0.89, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(dodecylamino)propane-1-sulfonic acid;hydride is sourced from PubChem (CID 173241970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).