disodium;hydride;4-(methylamino)butanoic acid;sulfane

C5H15NNa2O2S — CID 175037506

IUPACdisodium;hydride;4-(methylamino)butanoic acid;sulfane
SMILESCNCCCC(=O)O.S.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C5H11NO2.2Na.H2S.2H/c1-6-4-2-3-5(7)8;;;;;/h6H,2-4H2,1H3,(H,7,8);;;1H2;;/q;2*+1;;2*-1
InChIKeyUUUCJZYEEBRHHO-UHFFFAOYSA-N
MW199.23 g/mol
LogP-5.58
Rot. Bonds4

About disodium;hydride;4-(methylamino)butanoic acid;sulfane

disodium;hydride;4-(methylamino)butanoic acid;sulfane (PubChem CID 175037506) has the molecular formula C5H15NNa2O2S and a molecular weight of 199.23 g/mol. Its IUPAC name is disodium;hydride;4-(methylamino)butanoic acid;sulfane.

Molecular Properties

Compound Namedisodium;hydride;4-(methylamino)butanoic acid;sulfane
PubChem CID175037506
Molecular FormulaC5H15NNa2O2S
Molecular Weight199.23 g/mol
Exact Mass199.06
IUPAC Namedisodium;hydride;4-(methylamino)butanoic acid;sulfane
SMILESCNCCCC(=O)O.S.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C5H11NO2.2Na.H2S.2H/c1-6-4-2-3-5(7)8;;;;;/h6H,2-4H2,1H3,(H,7,8);;;1H2;;/q;2*+1;;2*-1
InChIKeyUUUCJZYEEBRHHO-UHFFFAOYSA-N
XLogP-5.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 5-5.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dilithium;hydride;4-(methylamino)butanoic acid
CID 173352430
Butanoic acid, 4-(methylamino)-, sodium salt (1:1)
CID 162082656
5-(methylamino)pentanoic acid
CID 91583432
6-(methylamino)hexanoic acid
CID 4989372
ethane;5-(methylamino)pentanoic acid
CID 178043439
4-[2-[2-[2-[4-(methylamino)butylamino]ethylamino]ethylamino]ethylamino]butanoic acid
CID 168831569
hexanoic acid;N-methyltridecan-1-amine
CID 173175224
7-[4-(methylamino)butanoylamino]heptanoic acid
CID 61158719
ethane;4-(methylamino)butanoic acid;toluene
CID 153336704
4-(methylamino)butanoic acid;2-methylpent-2-enoic acid
CID 173090742
10-[3-(methylamino)propylamino]-10-oxodecanoic acid
CID 87169049
8-[methyl-[4-(methylamino)butanoyl]amino]octanoic acid
CID 156569276

Frequently Asked Questions

What is the IUPAC name of disodium;hydride;4-(methylamino)butanoic acid;sulfane?
The IUPAC name of disodium;hydride;4-(methylamino)butanoic acid;sulfane (CID 175037506) is disodium;hydride;4-(methylamino)butanoic acid;sulfane.
What is the SMILES notation for disodium;hydride;4-(methylamino)butanoic acid;sulfane?
The canonical SMILES for disodium;hydride;4-(methylamino)butanoic acid;sulfane is CNCCCC(=O)O.S.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;4-(methylamino)butanoic acid;sulfane?
The InChIKey is UUUCJZYEEBRHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.2Na.H2S.2H/c1-6-4-2-3-5(7)8;;;;;/h6H,2-4H2,1H3,(H,7,8);;;1H2;;/q;2*+1;;2*-1.
What are the key properties of disodium;hydride;4-(methylamino)butanoic acid;sulfane?
disodium;hydride;4-(methylamino)butanoic acid;sulfane has a molecular weight of 199.23 g/mol, XLogP of -5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;4-(methylamino)butanoic acid;sulfane is sourced from PubChem (CID 175037506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).