N-(2-amino-2-ethylbutyl)-2-(oxan-2-ylmethylsulfanyl)acetamide

C14H28N2O2S — CID 119642821

IUPACN-(2-amino-2-ethylbutyl)-2-(oxan-2-ylmethylsulfanyl)acetamide
SMILESCCC(N)(CC)CNC(=O)CSCC1CCCCO1
InChIInChI=1S/C14H28N2O2S/c1-3-14(15,4-2)11-16-13(17)10-19-9-12-7-5-6-8-18-12/h12H,3-11,15H2,1-2H3,(H,16,17)
InChIKeyFITKURUPNRBACQ-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.92
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-2-(oxan-2-ylmethylsulfanyl)acetamide

N-(2-amino-2-ethylbutyl)-2-(oxan-2-ylmethylsulfanyl)acetamide (PubChem CID 119642821) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(oxan-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(oxan-2-ylmethylsulfanyl)acetamide
PubChem CID119642821
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(oxan-2-ylmethylsulfanyl)acetamide
SMILESCCC(N)(CC)CNC(=O)CSCC1CCCCO1
InChIInChI=1S/C14H28N2O2S/c1-3-14(15,4-2)11-16-13(17)10-19-9-12-7-5-6-8-18-12/h12H,3-11,15H2,1-2H3,(H,16,17)
InChIKeyFITKURUPNRBACQ-UHFFFAOYSA-N
XLogP1.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-(oxan-2-yl)acetamide
CID 81483834
2-[[2-(oxan-2-ylmethylsulfanyl)acetyl]amino]acetic acid
CID 119350079
N-(3-aminopropyl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 119407916
N-(2-hydroxyethyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide
CID 103799843
N-[2-(cycloheptylamino)ethyl]-2-(oxan-2-ylmethylsulfanyl)acetamide;hydrochloride
CID 119620861
2-(oxan-2-ylmethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119513465
2-ethyl-1-N-(oxan-2-ylmethyl)butane-1,2-diamine
CID 79814490
N-[2-(aminomethyl)cyclohexyl]-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 119611650
N-(2-amino-2-ethylbutyl)-2-cyclopentylacetamide
CID 81424334
2-(oxan-2-ylmethylsulfanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453049
N-(2-amino-2-ethylbutyl)oxolane-2-carboxamide;hydrochloride
CID 119261227
(2R)-2-(ethylsulfanylmethyl)oxane
CID 154221143

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(oxan-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(oxan-2-ylmethylsulfanyl)acetamide (CID 119642821) is N-(2-amino-2-ethylbutyl)-2-(oxan-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(oxan-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(oxan-2-ylmethylsulfanyl)acetamide is CCC(N)(CC)CNC(=O)CSCC1CCCCO1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(oxan-2-ylmethylsulfanyl)acetamide?
The InChIKey is FITKURUPNRBACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-3-14(15,4-2)11-16-13(17)10-19-9-12-7-5-6-8-18-12/h12H,3-11,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(oxan-2-ylmethylsulfanyl)acetamide?
N-(2-amino-2-ethylbutyl)-2-(oxan-2-ylmethylsulfanyl)acetamide has a molecular weight of 288.46 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-(oxan-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 119642821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).