2-[2-(oxan-4-ylamino)phenyl]sulfanylacetamide

C13H18N2O2S — CID 43722530

IUPAC2-[2-(oxan-4-ylamino)phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NC1CCOCC1
InChIInChI=1S/C13H18N2O2S/c14-13(16)9-18-12-4-2-1-3-11(12)15-10-5-7-17-8-6-10/h1-4,10,15H,5-9H2,(H2,14,16)
InChIKeyOQZNKDMAEOFQLG-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.85
Rot. Bonds5

About 2-[2-(oxan-4-ylamino)phenyl]sulfanylacetamide

2-[2-(oxan-4-ylamino)phenyl]sulfanylacetamide (PubChem CID 43722530) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-[2-(oxan-4-ylamino)phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-(oxan-4-ylamino)phenyl]sulfanylacetamide
PubChem CID43722530
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-[2-(oxan-4-ylamino)phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NC1CCOCC1
InChIInChI=1S/C13H18N2O2S/c14-13(16)9-18-12-4-2-1-3-11(12)15-10-5-7-17-8-6-10/h1-4,10,15H,5-9H2,(H2,14,16)
InChIKeyOQZNKDMAEOFQLG-UHFFFAOYSA-N
XLogP1.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-propan-2-ylcyclohexyl)amino]phenyl]sulfanylacetamide
CID 62709162
2-[2-[1-(oxolan-3-yl)ethylamino]phenyl]sulfanylacetamide
CID 115928559
2-[2-[(3-methylcyclohexyl)amino]phenyl]sulfanylacetamide
CID 43722550
2-[2-[(1,1-dioxothian-3-yl)amino]phenyl]sulfanylacetamide
CID 63922815
2-[2-[(2,6-dimethylcyclohexyl)amino]phenyl]sulfanylacetamide
CID 43722551
2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722610
2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722597
2-[2-(oxepan-4-ylamino)phenyl]acetamide
CID 65082099
N-(2-ethylsulfanylphenyl)oxolan-3-amine
CID 63335369
2-[[2-(2-amino-2-oxoethyl)sulfanylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974553
4-(2-prop-2-enylsulfanylanilino)piperidine-1-carboxamide
CID 60927749
1-[2-(oxan-4-ylamino)phenyl]piperidine-4-carboxamide
CID 86784089

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-4-ylamino)phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-(oxan-4-ylamino)phenyl]sulfanylacetamide (CID 43722530) is 2-[2-(oxan-4-ylamino)phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-(oxan-4-ylamino)phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-(oxan-4-ylamino)phenyl]sulfanylacetamide is NC(=O)CSc1ccccc1NC1CCOCC1.
What is the InChIKey of 2-[2-(oxan-4-ylamino)phenyl]sulfanylacetamide?
The InChIKey is OQZNKDMAEOFQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c14-13(16)9-18-12-4-2-1-3-11(12)15-10-5-7-17-8-6-10/h1-4,10,15H,5-9H2,(H2,14,16).
What are the key properties of 2-[2-(oxan-4-ylamino)phenyl]sulfanylacetamide?
2-[2-(oxan-4-ylamino)phenyl]sulfanylacetamide has a molecular weight of 266.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-4-ylamino)phenyl]sulfanylacetamide is sourced from PubChem (CID 43722530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).