N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pent-4-ynamide

C10H17NO2S — CID 106741506

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pent-4-ynamide
SMILESC#CCCC(=O)NCC(C)(O)CSC
InChIInChI=1S/C10H17NO2S/c1-4-5-6-9(12)11-7-10(2,13)8-14-3/h1,13H,5-8H2,2-3H3,(H,11,12)
InChIKeyFULNWZOXGBAAMC-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.63
Rot. Bonds6

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pent-4-ynamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pent-4-ynamide (PubChem CID 106741506) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pent-4-ynamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pent-4-ynamide
PubChem CID106741506
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pent-4-ynamide
SMILESC#CCCC(=O)NCC(C)(O)CSC
InChIInChI=1S/C10H17NO2S/c1-4-5-6-9(12)11-7-10(2,13)8-14-3/h1,13H,5-8H2,2-3H3,(H,11,12)
InChIKeyFULNWZOXGBAAMC-UHFFFAOYSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide
CID 106247746
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide
CID 106247633
N-(2-hydroxy-2-methylbutyl)hept-6-ynamide
CID 103908911
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-pyrrolidin-3-ylpropanamide
CID 106247834
2-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethoxy]acetic acid
CID 106244362
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide
CID 103522092
4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide
CID 106247749
3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide
CID 106247798
5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-3-methyl-5-oxopentanoic acid
CID 106244340
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-phenylpent-4-enamide
CID 111436003
N-(2-hydroxy-2-methylbutyl)-3-methylsulfanylpropanamide
CID 65114452
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide
CID 90522931

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pent-4-ynamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pent-4-ynamide (CID 106741506) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pent-4-ynamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pent-4-ynamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pent-4-ynamide is C#CCCC(=O)NCC(C)(O)CSC.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pent-4-ynamide?
The InChIKey is FULNWZOXGBAAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-4-5-6-9(12)11-7-10(2,13)8-14-3/h1,13H,5-8H2,2-3H3,(H,11,12).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pent-4-ynamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pent-4-ynamide has a molecular weight of 215.32 g/mol, XLogP of 0.63, 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-methyl-3-methylsulfanylpropyl)pent-4-ynamide is sourced from PubChem (CID 106741506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).