potassium (2S)-2-amino-4-sulfanylbutan-1-one

C4H8KNOS — CID 59154001

IUPACpotassium (2S)-2-amino-4-sulfanylbutan-1-one
SMILESN[C@H]([C-]=O)CCS.[K+]
InChIInChI=1S/C4H8NOS.K/c5-4(3-6)1-2-7;/h4,7H,1-2,5H2;/q-1;+1/t4-;/m0./s1
InChIKeyQBBHRPHETMZHAO-WCCKRBBISA-N
MW157.28 g/mol
LogP-3.25
Rot. Bonds3

About potassium (2S)-2-amino-4-sulfanylbutan-1-one

potassium (2S)-2-amino-4-sulfanylbutan-1-one (PubChem CID 59154001) has the molecular formula C4H8KNOS and a molecular weight of 157.28 g/mol. Its IUPAC name is potassium (2S)-2-amino-4-sulfanylbutan-1-one.

Molecular Properties

Compound Namepotassium (2S)-2-amino-4-sulfanylbutan-1-one
PubChem CID59154001
Molecular FormulaC4H8KNOS
Molecular Weight157.28 g/mol
Exact Mass157.00
IUPAC Namepotassium (2S)-2-amino-4-sulfanylbutan-1-one
SMILESN[C@H]([C-]=O)CCS.[K+]
InChIInChI=1S/C4H8NOS.K/c5-4(3-6)1-2-7;/h4,7H,1-2,5H2;/q-1;+1/t4-;/m0./s1
InChIKeyQBBHRPHETMZHAO-WCCKRBBISA-N
XLogP-3.25
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 5-3.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

tetrakis((2R)-2-amino-3-sulfanylpropan-1-one);iron(4+)
CID 23400783
methyl 2-amino-4-sulfanylbutaneperoxoate
CID 129143638
sodium 2-amino-4-methylsulfanylbutan-1-one
CID 175167406
2-amino-4-sulfanylbutanoic acid
CID 778
(2S)-2-amino-4-sulfanylbutanoic acid
CID 87178469
methyl (2S)-2-amino-4-sulfanylbutanoate;hydrochloride
CID 142639928
(2S)-2-aminopropanoic acid;(2S)-2-amino-4-sulfanylbutanoic acid
CID 87099321
magnesium bis((3S)-3-amino-4-oxobutanoic acid)
CID 177421154
sodium (3S)-3-amino-4-oxobutanoic acid
CID 163808101
acetyl (2R)-2-amino-4-sulfanylbutanoate
CID 87669998
CID 173003493
CID 173003493
(4R)-4-amino-2-(disulfanyl)-6-sulfanylhexan-3-one
CID 166950932

Frequently Asked Questions

What is the IUPAC name of potassium (2S)-2-amino-4-sulfanylbutan-1-one?
The IUPAC name of potassium (2S)-2-amino-4-sulfanylbutan-1-one (CID 59154001) is potassium (2S)-2-amino-4-sulfanylbutan-1-one.
What is the SMILES notation for potassium (2S)-2-amino-4-sulfanylbutan-1-one?
The canonical SMILES for potassium (2S)-2-amino-4-sulfanylbutan-1-one is N[C@H]([C-]=O)CCS.[K+].
What is the InChIKey of potassium (2S)-2-amino-4-sulfanylbutan-1-one?
The InChIKey is QBBHRPHETMZHAO-WCCKRBBISA-N. The full InChI is InChI=1S/C4H8NOS.K/c5-4(3-6)1-2-7;/h4,7H,1-2,5H2;/q-1;+1/t4-;/m0./s1.
What are the key properties of potassium (2S)-2-amino-4-sulfanylbutan-1-one?
potassium (2S)-2-amino-4-sulfanylbutan-1-one has a molecular weight of 157.28 g/mol, XLogP of -3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2S)-2-amino-4-sulfanylbutan-1-one is sourced from PubChem (CID 59154001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).