N-(oxan-4-yl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide

C12H20N2O2S — CID 106428733

IUPACN-(oxan-4-yl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide
SMILESC#CCSCCNCC(=O)NC1CCOCC1
InChIInChI=1S/C12H20N2O2S/c1-2-8-17-9-5-13-10-12(15)14-11-3-6-16-7-4-11/h1,11,13H,3-10H2,(H,14,15)
InChIKeyGAAZKFWOGOHOHR-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.24
Rot. Bonds7

About N-(oxan-4-yl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide

N-(oxan-4-yl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide (PubChem CID 106428733) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide
PubChem CID106428733
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(oxan-4-yl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide
SMILESC#CCSCCNCC(=O)NC1CCOCC1
InChIInChI=1S/C12H20N2O2S/c1-2-8-17-9-5-13-10-12(15)14-11-3-6-16-7-4-11/h1,11,13H,3-10H2,(H,14,15)
InChIKeyGAAZKFWOGOHOHR-UHFFFAOYSA-N
XLogP0.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(oxan-4-ylmethyl)-2-prop-2-ynylsulfanylethanamine
CID 115685727
N-(oxan-4-yl)-2-(oxan-4-ylmethylamino)acetamide
CID 63712370
2-[2-(dimethylcarbamoylamino)ethylamino]-N-(oxan-4-yl)acetamide
CID 83120793
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(oxan-4-yl)acetamide
CID 63100245
2-(2-methylpropylamino)-N-(oxan-4-yl)acetamide
CID 63098322
N-pentan-3-yl-2-(2-prop-2-ynylsulfanylethylamino)acetamide
CID 106428897
2-(oxaldehydoylamino)-N-(oxan-4-yl)acetamide
CID 87598954
2-(3-hydroxypropylsulfanyl)-N-(oxan-4-yl)acetamide
CID 66127875
2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 63099712
2-[(3-hydroxy-4-methoxybutyl)amino]-N-(oxan-4-yl)acetamide
CID 106246683
2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide
CID 106427755
N-cycloheptyl-2-(oxan-4-ylmethylamino)acetamide
CID 63725638

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide?
The IUPAC name of N-(oxan-4-yl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide (CID 106428733) is N-(oxan-4-yl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide is C#CCSCCNCC(=O)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide?
The InChIKey is GAAZKFWOGOHOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-2-8-17-9-5-13-10-12(15)14-11-3-6-16-7-4-11/h1,11,13H,3-10H2,(H,14,15).
What are the key properties of N-(oxan-4-yl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide?
N-(oxan-4-yl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide has a molecular weight of 256.37 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide is sourced from PubChem (CID 106428733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).