sodium;dodecyl sulfate;formamide

C13H28NNaO5S — CID 87440308

IUPACsodium;dodecyl sulfate;formamide
SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].NC=O.[Na+]
InChIInChI=1S/C12H26O4S.CH3NO.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;2-1-3;/h2-12H2,1H3,(H,13,14,15);1H,(H2,2,3);/q;;+1/p-1
InChIKeyUIHNSZXCDJHBFQ-UHFFFAOYSA-M
MW333.43 g/mol
LogP-0.51
Rot. Bonds12

About sodium;dodecyl sulfate;formamide

sodium;dodecyl sulfate;formamide (PubChem CID 87440308) has the molecular formula C13H28NNaO5S and a molecular weight of 333.43 g/mol. Its IUPAC name is sodium;dodecyl sulfate;formamide.

Molecular Properties

Compound Namesodium;dodecyl sulfate;formamide
PubChem CID87440308
Molecular FormulaC13H28NNaO5S
Molecular Weight333.43 g/mol
Exact Mass333.16
IUPAC Namesodium;dodecyl sulfate;formamide
SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].NC=O.[Na+]
InChIInChI=1S/C12H26O4S.CH3NO.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;2-1-3;/h2-12H2,1H3,(H,13,14,15);1H,(H2,2,3);/q;;+1/p-1
InChIKeyUIHNSZXCDJHBFQ-UHFFFAOYSA-M
XLogP-0.51
TPSA109.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium tetradecyl sulfate
CID 23665770
sodium heptacosyl sulfate
CID 155090064
sodium hexyl sulfate
CID 23678858
disodium bis(hexadecyl sulfate)
CID 10394875
sodium pentadecyl sulfate
CID 23700089
aluminum;sodium;dodecyl sulfate
CID 160751560
sodium;dodecyl sulfate;bis(oxygen(2-));titanium(4+)
CID 162039562
potassium decyl sulfate
CID 23673657
copper(1+);dodecyl sulfate
CID 174360133
cobalt(2+);dodecyl sulfate
CID 87268751
dodecyl sulfate;gadolinium(3+)
CID 102378284
calcium nonyl sulfate
CID 101286747

Frequently Asked Questions

What is the IUPAC name of sodium;dodecyl sulfate;formamide?
The IUPAC name of sodium;dodecyl sulfate;formamide (CID 87440308) is sodium;dodecyl sulfate;formamide.
What is the SMILES notation for sodium;dodecyl sulfate;formamide?
The canonical SMILES for sodium;dodecyl sulfate;formamide is CCCCCCCCCCCCOS(=O)(=O)[O-].NC=O.[Na+].
What is the InChIKey of sodium;dodecyl sulfate;formamide?
The InChIKey is UIHNSZXCDJHBFQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H26O4S.CH3NO.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;2-1-3;/h2-12H2,1H3,(H,13,14,15);1H,(H2,2,3);/q;;+1/p-1.
What are the key properties of sodium;dodecyl sulfate;formamide?
sodium;dodecyl sulfate;formamide has a molecular weight of 333.43 g/mol, XLogP of -0.51, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecyl sulfate;formamide is sourced from PubChem (CID 87440308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).