2-(2-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide

C11H22N2O2S — CID 66227853

IUPAC2-(2-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide
SMILESCC(C)(N)CSCC(=O)NC1CCOCC1
InChIInChI=1S/C11H22N2O2S/c1-11(2,12)8-16-7-10(14)13-9-3-5-15-6-4-9/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeySZEVNKYWVPZFIB-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.75
Rot. Bonds5

About 2-(2-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide

2-(2-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide (PubChem CID 66227853) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide
PubChem CID66227853
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-(2-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide
SMILESCC(C)(N)CSCC(=O)NC1CCOCC1
InChIInChI=1S/C11H22N2O2S/c1-11(2,12)8-16-7-10(14)13-9-3-5-15-6-4-9/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeySZEVNKYWVPZFIB-UHFFFAOYSA-N
XLogP0.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide (CID 66227853) is 2-(2-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(2-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide is CC(C)(N)CSCC(=O)NC1CCOCC1.
What is the InChIKey of 2-(2-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide?
The InChIKey is SZEVNKYWVPZFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-11(2,12)8-16-7-10(14)13-9-3-5-15-6-4-9/h9H,3-8,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide?
2-(2-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide has a molecular weight of 246.38 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 66227853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).