N-(2-hydroxy-2-methylbutyl)-3-methylsulfanylpropanamide

C9H19NO2S — CID 65114452

IUPACN-(2-hydroxy-2-methylbutyl)-3-methylsulfanylpropanamide
SMILESCCC(C)(O)CNC(=O)CCSC
InChIInChI=1S/C9H19NO2S/c1-4-9(2,12)7-10-8(11)5-6-13-3/h12H,4-7H2,1-3H3,(H,10,11)
InChIKeyNFRYXJAFLBBQFM-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.02
Rot. Bonds6

About N-(2-hydroxy-2-methylbutyl)-3-methylsulfanylpropanamide

N-(2-hydroxy-2-methylbutyl)-3-methylsulfanylpropanamide (PubChem CID 65114452) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-3-methylsulfanylpropanamide
PubChem CID65114452
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-(2-hydroxy-2-methylbutyl)-3-methylsulfanylpropanamide
SMILESCCC(C)(O)CNC(=O)CCSC
InChIInChI=1S/C9H19NO2S/c1-4-9(2,12)7-10-8(11)5-6-13-3/h12H,4-7H2,1-3H3,(H,10,11)
InChIKeyNFRYXJAFLBBQFM-UHFFFAOYSA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylamino)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65106616
3-cyclopentyl-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114785
3-methylsulfanyl-N-propylpropanamide
CID 60637635
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylsulfanylpropanamide
CID 104873806
N-(2-hydroxy-2-methylbutyl)hept-6-ynamide
CID 103908911
4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylbutyl)butanamide
CID 65109878
6-amino-4-ethyl-N-(2-hydroxy-2-methylbutyl)hexanamide
CID 65106452
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide
CID 106247746
2-methyl-3-(3-methylsulfanylpropanoylamino)-2-phenylpropanoic acid
CID 120701360
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide
CID 106247633
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pent-4-ynamide
CID 106741506
1-ethyl-3-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)urea
CID 71787402

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-3-methylsulfanylpropanamide (CID 65114452) is N-(2-hydroxy-2-methylbutyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-3-methylsulfanylpropanamide is CCC(C)(O)CNC(=O)CCSC.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-3-methylsulfanylpropanamide?
The InChIKey is NFRYXJAFLBBQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-4-9(2,12)7-10-8(11)5-6-13-3/h12H,4-7H2,1-3H3,(H,10,11).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-3-methylsulfanylpropanamide?
N-(2-hydroxy-2-methylbutyl)-3-methylsulfanylpropanamide has a molecular weight of 205.32 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 65114452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).