N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]formamide

C6H13NO2S — CID 58388323

IUPACN-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]formamide
SMILESCSCC[C@@H](CO)NC=O
InChIInChI=1S/C6H13NO2S/c1-10-3-2-6(4-8)7-5-9/h5-6,8H,2-4H2,1H3,(H,7,9)/t6-/m0/s1
InChIKeyHINIEFNSYZEBMF-LURJTMIESA-N
MW163.24 g/mol
LogP-0.15
Rot. Bonds6

About N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]formamide

N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]formamide (PubChem CID 58388323) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]formamide
PubChem CID58388323
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]formamide
SMILESCSCC[C@@H](CO)NC=O
InChIInChI=1S/C6H13NO2S/c1-10-3-2-6(4-8)7-5-9/h5-6,8H,2-4H2,1H3,(H,7,9)/t6-/m0/s1
InChIKeyHINIEFNSYZEBMF-LURJTMIESA-N
XLogP-0.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Acetamido-2-hydroxytetrahydrothiophene
CID 194471
2-fluoro-N-[(2R)-1-hydroxy-3-methylsulfanylbutan-2-yl]acetamide
CID 126707951
N-Acetylmethioninol
CID 129647056
(1-Hydroxy-3-methylsulfanylpropan-2-yl)carbamic acid
CID 21082266
2-(Methylamino)-4-methylsulfanylbutan-1-ol
CID 21307265
N-(1-hydroxybutan-2-yl)-2-sulfanylacetamide
CID 53758930
(2S)-2-(methylamino)-4-methylsulfanylbutan-1-ol
CID 59715881
N-(2-hydroxythiolan-3-yl)formamide
CID 87333124
[(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid
CID 87543822
[(2R,3S)-1,3-dihydroxy-4-methylsulfanylbutan-2-yl]carbamic acid
CID 87652058
(1,3-Dihydroxy-4-methylsulfanylbutan-2-yl)carbamic acid
CID 87652087
[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid
CID 87852620

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]formamide?
The IUPAC name of N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]formamide (CID 58388323) is N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]formamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]formamide?
The canonical SMILES for N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]formamide is CSCC[C@@H](CO)NC=O.
What is the InChIKey of N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]formamide?
The InChIKey is HINIEFNSYZEBMF-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO2S/c1-10-3-2-6(4-8)7-5-9/h5-6,8H,2-4H2,1H3,(H,7,9)/t6-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]formamide?
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]formamide has a molecular weight of 163.24 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]formamide is sourced from PubChem (CID 58388323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).