CID 170842909

C14H29NNaO5S — CID 170842909

IUPAC—
SMILESCCCCCCCCCCCC(=O)NCCOS(=O)(=O)O.[Na]
InChIInChI=1S/C14H29NO5S.Na/c1-2-3-4-5-6-7-8-9-10-11-14(16)15-12-13-20-21(17,18)19;/h2-13H2,1H3,(H,15,16)(H,17,18,19);
InChIKeyCWFWLOFQKNPCNX-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.46
Rot. Bonds14

About CID 170842909

CID 170842909 (PubChem CID 170842909) has the molecular formula C14H29NNaO5S and a molecular weight of 346.45 g/mol.

Molecular Properties

Compound NameCID 170842909
PubChem CID170842909
Molecular FormulaC14H29NNaO5S
Molecular Weight346.45 g/mol
Exact Mass346.17
IUPAC Name—
SMILESCCCCCCCCCCCC(=O)NCCOS(=O)(=O)O.[Na]
InChIInChI=1S/C14H29NO5S.Na/c1-2-3-4-5-6-7-8-9-10-11-14(16)15-12-13-20-21(17,18)19;/h2-13H2,1H3,(H,15,16)(H,17,18,19);
InChIKeyCWFWLOFQKNPCNX-UHFFFAOYSA-N
XLogP2.46
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
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

2-(decanoylamino)ethyl hydrogen sulfate
CID 13257981
2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]ethyl hydrogen sulfate
CID 165390328
[4-(decylamino)-4-oxobutyl] hydrogen sulfate
CID 10881849
2-(heptadeca-4,6-diynoylamino)ethyl hydrogen sulfate
CID 138609312
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783

Frequently Asked Questions

What is the IUPAC name of CID 170842909?
The IUPAC name of CID 170842909 (CID 170842909) is not available.
What is the SMILES notation for CID 170842909?
The canonical SMILES for CID 170842909 is CCCCCCCCCCCC(=O)NCCOS(=O)(=O)O.[Na].
What is the InChIKey of CID 170842909?
The InChIKey is CWFWLOFQKNPCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO5S.Na/c1-2-3-4-5-6-7-8-9-10-11-14(16)15-12-13-20-21(17,18)19;/h2-13H2,1H3,(H,15,16)(H,17,18,19);.
What are the key properties of CID 170842909?
CID 170842909 has a molecular weight of 346.45 g/mol, XLogP of 2.46, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170842909 is sourced from PubChem (CID 170842909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).