sodium 2-amino-4-methylsulfanylbutan-1-one

C5H10NNaOS — CID 175167406

IUPACsodium 2-amino-4-methylsulfanylbutan-1-one
SMILESCSCCC(N)[C-]=O.[Na+]
InChIInChI=1S/C5H10NOS.Na/c1-8-3-2-5(6)4-7;/h5H,2-3,6H2,1H3;/q-1;+1
InChIKeyMFCVVZPNWLRGOC-UHFFFAOYSA-N
MW155.20 g/mol
LogP-2.82
Rot. Bonds4

About sodium 2-amino-4-methylsulfanylbutan-1-one

sodium 2-amino-4-methylsulfanylbutan-1-one (PubChem CID 175167406) has the molecular formula C5H10NNaOS and a molecular weight of 155.20 g/mol. Its IUPAC name is sodium 2-amino-4-methylsulfanylbutan-1-one.

Molecular Properties

Compound Namesodium 2-amino-4-methylsulfanylbutan-1-one
PubChem CID175167406
Molecular FormulaC5H10NNaOS
Molecular Weight155.20 g/mol
Exact Mass155.04
IUPAC Namesodium 2-amino-4-methylsulfanylbutan-1-one
SMILESCSCCC(N)[C-]=O.[Na+]
InChIInChI=1S/C5H10NOS.Na/c1-8-3-2-5(6)4-7;/h5H,2-3,6H2,1H3;/q-1;+1
InChIKeyMFCVVZPNWLRGOC-UHFFFAOYSA-N
XLogP-2.82
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-2.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

disodium bis((2S)-2-amino-4-methylsulfanylbutanoate)
CID 142741182
potassium;sodium;2-amino-4-methylsulfanylbutanoic acid;hydride
CID 175209594
(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
CID 150150636
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137
2-amino-4-(113C)methylsulfanylbutanoic acid
CID 15556496
(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
2-amino-4-methylsulfanylbutanoic acid
CID 876
(2S)-2-amino-4-methylsulfanylbutanoic acid;molybdenum
CID 174796438
tris(2-amino-4-methylsulfanylbutanoate);chromium(3+)
CID 71661183
(2S)-2-amino-4-methylsulfanylbutanamide;cobalt
CID 174423954
(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
CID 87289409
CID 172908207
CID 172908207

Frequently Asked Questions

What is the IUPAC name of sodium 2-amino-4-methylsulfanylbutan-1-one?
The IUPAC name of sodium 2-amino-4-methylsulfanylbutan-1-one (CID 175167406) is sodium 2-amino-4-methylsulfanylbutan-1-one.
What is the SMILES notation for sodium 2-amino-4-methylsulfanylbutan-1-one?
The canonical SMILES for sodium 2-amino-4-methylsulfanylbutan-1-one is CSCCC(N)[C-]=O.[Na+].
What is the InChIKey of sodium 2-amino-4-methylsulfanylbutan-1-one?
The InChIKey is MFCVVZPNWLRGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NOS.Na/c1-8-3-2-5(6)4-7;/h5H,2-3,6H2,1H3;/q-1;+1.
What are the key properties of sodium 2-amino-4-methylsulfanylbutan-1-one?
sodium 2-amino-4-methylsulfanylbutan-1-one has a molecular weight of 155.20 g/mol, XLogP of -2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-amino-4-methylsulfanylbutan-1-one is sourced from PubChem (CID 175167406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).