N-[2-(4-aminocyclohexyl)oxyethyl]-2-phenylsulfanylacetamide

C16H24N2O2S — CID 63869797

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]-2-phenylsulfanylacetamide
SMILESNC1CCC(OCCNC(=O)CSc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2S/c17-13-6-8-14(9-7-13)20-11-10-18-16(19)12-21-15-4-2-1-3-5-15/h1-5,13-14H,6-12,17H2,(H,18,19)
InChIKeyCQVLMYACUVZHMK-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.18
Rot. Bonds7

About N-[2-(4-aminocyclohexyl)oxyethyl]-2-phenylsulfanylacetamide

N-[2-(4-aminocyclohexyl)oxyethyl]-2-phenylsulfanylacetamide (PubChem CID 63869797) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]-2-phenylsulfanylacetamide
PubChem CID63869797
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]-2-phenylsulfanylacetamide
SMILESNC1CCC(OCCNC(=O)CSc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2S/c17-13-6-8-14(9-7-13)20-11-10-18-16(19)12-21-15-4-2-1-3-5-15/h1-5,13-14H,6-12,17H2,(H,18,19)
InChIKeyCQVLMYACUVZHMK-UHFFFAOYSA-N
XLogP2.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2-phenylsulfanylacetamide (CID 63869797) is N-[2-(4-aminocyclohexyl)oxyethyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]-2-phenylsulfanylacetamide is NC1CCC(OCCNC(=O)CSc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]-2-phenylsulfanylacetamide?
The InChIKey is CQVLMYACUVZHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c17-13-6-8-14(9-7-13)20-11-10-18-16(19)12-21-15-4-2-1-3-5-15/h1-5,13-14H,6-12,17H2,(H,18,19).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]-2-phenylsulfanylacetamide?
N-[2-(4-aminocyclohexyl)oxyethyl]-2-phenylsulfanylacetamide has a molecular weight of 308.45 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminocyclohexyl)oxyethyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 63869797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).