CID 175985360

C17H38N2NaO5S2 — CID 175985360

IUPAC—
SMILESCCCCCCCCCCCCC(C)(CN)S(=O)(=O)OS(=O)(=O)CCN.[Na]
InChIInChI=1S/C17H38N2O5S2.Na/c1-3-4-5-6-7-8-9-10-11-12-13-17(2,16-19)26(22,23)24-25(20,21)15-14-18;/h3-16,18-19H2,1-2H3;
InChIKeyRNGIRKDUZXNRNV-UHFFFAOYSA-N
MW437.62 g/mol
LogP2.27
Rot. Bonds17

About CID 175985360

CID 175985360 (PubChem CID 175985360) has the molecular formula C17H38N2NaO5S2 and a molecular weight of 437.62 g/mol.

Molecular Properties

Compound NameCID 175985360
PubChem CID175985360
Molecular FormulaC17H38N2NaO5S2
Molecular Weight437.62 g/mol
Exact Mass437.21
IUPAC Name—
SMILESCCCCCCCCCCCCC(C)(CN)S(=O)(=O)OS(=O)(=O)CCN.[Na]
InChIInChI=1S/C17H38N2O5S2.Na/c1-3-4-5-6-7-8-9-10-11-12-13-17(2,16-19)26(22,23)24-25(20,21)15-14-18;/h3-16,18-19H2,1-2H3;
InChIKeyRNGIRKDUZXNRNV-UHFFFAOYSA-N
XLogP2.27
TPSA129.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.62
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 156536321
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Frequently Asked Questions

What is the IUPAC name of CID 175985360?
The IUPAC name of CID 175985360 (CID 175985360) is not available.
What is the SMILES notation for CID 175985360?
The canonical SMILES for CID 175985360 is CCCCCCCCCCCCC(C)(CN)S(=O)(=O)OS(=O)(=O)CCN.[Na].
What is the InChIKey of CID 175985360?
The InChIKey is RNGIRKDUZXNRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2O5S2.Na/c1-3-4-5-6-7-8-9-10-11-12-13-17(2,16-19)26(22,23)24-25(20,21)15-14-18;/h3-16,18-19H2,1-2H3;.
What are the key properties of CID 175985360?
CID 175985360 has a molecular weight of 437.62 g/mol, XLogP of 2.27, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175985360 is sourced from PubChem (CID 175985360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).