sodium;6,8-bis(sulfanyl)octanamide;ethanesulfonic acid;hydride

C10H24NNaO4S3 — CID 173094909

IUPACsodium;6,8-bis(sulfanyl)octanamide;ethanesulfonic acid;hydride
SMILESCCS(=O)(=O)O.NC(=O)CCCCC(S)CCS.[H-].[Na+]
InChIInChI=1S/C8H17NOS2.C2H6O3S.Na.H/c9-8(10)4-2-1-3-7(12)5-6-11;1-2-6(3,4)5;;/h7,11-12H,1-6H2,(H2,9,10);2H2,1H3,(H,3,4,5);;/q;;+1;-1
InChIKeyXRFNTCWPTSECDT-UHFFFAOYSA-N
MW341.50 g/mol
LogP-1.34
Rot. Bonds8

About sodium;6,8-bis(sulfanyl)octanamide;ethanesulfonic acid;hydride

sodium;6,8-bis(sulfanyl)octanamide;ethanesulfonic acid;hydride (PubChem CID 173094909) has the molecular formula C10H24NNaO4S3 and a molecular weight of 341.50 g/mol. Its IUPAC name is sodium;6,8-bis(sulfanyl)octanamide;ethanesulfonic acid;hydride.

Molecular Properties

Compound Namesodium;6,8-bis(sulfanyl)octanamide;ethanesulfonic acid;hydride
PubChem CID173094909
Molecular FormulaC10H24NNaO4S3
Molecular Weight341.50 g/mol
Exact Mass341.08
IUPAC Namesodium;6,8-bis(sulfanyl)octanamide;ethanesulfonic acid;hydride
SMILESCCS(=O)(=O)O.NC(=O)CCCCC(S)CCS.[H-].[Na+]
InChIInChI=1S/C8H17NOS2.C2H6O3S.Na.H/c9-8(10)4-2-1-3-7(12)5-6-11;1-2-6(3,4)5;;/h7,11-12H,1-6H2,(H2,9,10);2H2,1H3,(H,3,4,5);;/q;;+1;-1
InChIKeyXRFNTCWPTSECDT-UHFFFAOYSA-N
XLogP-1.34
TPSA97.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze sodium;6,8-bis(sulfanyl)octanamide;ethanesulfonic acid;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium 1-[6,8-bis(sulfanyl)octanoylamino]ethanesulfonate
CID 134328561
2-[2-(2-butoxyethoxy)ethoxy]ethyl 6,8-bis(sulfanyl)octanoate
CID 176837948
2-(dimethylamino)ethyl 6,8-bis(sulfanyl)octanoate
CID 23298470
15-ethylnonacosanediamide
CID 141183964
sodium;zinc;(2S)-2-[6,8-bis(sulfanyl)octanoylamino]butanedioate;hydride
CID 173074736
sodium 3-[6,8-bis(sulfanyl)octanoylamino]propanoate
CID 141084424
6,8-bis(sulfanyl)octanoic acid;2-[carbamimidoyl(methyl)amino]acetic acid
CID 10236840
ethanesulfonic acid;urea
CID 159375044
7-aminoheptane-1,3-dithiol
CID 167040747
2-methylidene-6-sulfanylnonanamide
CID 141133310
10-sulfanyloctadecanoic acid
CID 57260678
sodium (2S)-2-[6,8-bis(sulfanyl)octanoylamino]-3-hydroxypropanoate
CID 141084420

Frequently Asked Questions

What is the IUPAC name of sodium;6,8-bis(sulfanyl)octanamide;ethanesulfonic acid;hydride?
The IUPAC name of sodium;6,8-bis(sulfanyl)octanamide;ethanesulfonic acid;hydride (CID 173094909) is sodium;6,8-bis(sulfanyl)octanamide;ethanesulfonic acid;hydride.
What is the SMILES notation for sodium;6,8-bis(sulfanyl)octanamide;ethanesulfonic acid;hydride?
The canonical SMILES for sodium;6,8-bis(sulfanyl)octanamide;ethanesulfonic acid;hydride is CCS(=O)(=O)O.NC(=O)CCCCC(S)CCS.[H-].[Na+].
What is the InChIKey of sodium;6,8-bis(sulfanyl)octanamide;ethanesulfonic acid;hydride?
The InChIKey is XRFNTCWPTSECDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS2.C2H6O3S.Na.H/c9-8(10)4-2-1-3-7(12)5-6-11;1-2-6(3,4)5;;/h7,11-12H,1-6H2,(H2,9,10);2H2,1H3,(H,3,4,5);;/q;;+1;-1.
What are the key properties of sodium;6,8-bis(sulfanyl)octanamide;ethanesulfonic acid;hydride?
sodium;6,8-bis(sulfanyl)octanamide;ethanesulfonic acid;hydride has a molecular weight of 341.50 g/mol, XLogP of -1.34, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;6,8-bis(sulfanyl)octanamide;ethanesulfonic acid;hydride is sourced from PubChem (CID 173094909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).