2-cyclohexyloxy-N-ethyl-N-(thiolan-2-ylmethyl)acetamide

C15H27NO2S — CID 140621998

IUPAC2-cyclohexyloxy-N-ethyl-N-(thiolan-2-ylmethyl)acetamide
SMILESCCN(CC1CCCS1)C(=O)COC1CCCCC1
InChIInChI=1S/C15H27NO2S/c1-2-16(11-14-9-6-10-19-14)15(17)12-18-13-7-4-3-5-8-13/h13-14H,2-12H2,1H3
InChIKeyNORAYRXRWMDEEH-UHFFFAOYSA-N
MW285.45 g/mol
LogP3.08
Rot. Bonds6

About 2-cyclohexyloxy-N-ethyl-N-(thiolan-2-ylmethyl)acetamide

2-cyclohexyloxy-N-ethyl-N-(thiolan-2-ylmethyl)acetamide (PubChem CID 140621998) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-ethyl-N-(thiolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-cyclohexyloxy-N-ethyl-N-(thiolan-2-ylmethyl)acetamide
PubChem CID140621998
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC Name2-cyclohexyloxy-N-ethyl-N-(thiolan-2-ylmethyl)acetamide
SMILESCCN(CC1CCCS1)C(=O)COC1CCCCC1
InChIInChI=1S/C15H27NO2S/c1-2-16(11-14-9-6-10-19-14)15(17)12-18-13-7-4-3-5-8-13/h13-14H,2-12H2,1H3
InChIKeyNORAYRXRWMDEEH-UHFFFAOYSA-N
XLogP3.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-ethyl-N-(thiolan-2-ylmethyl)acetamide?
The IUPAC name of 2-cyclohexyloxy-N-ethyl-N-(thiolan-2-ylmethyl)acetamide (CID 140621998) is 2-cyclohexyloxy-N-ethyl-N-(thiolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-cyclohexyloxy-N-ethyl-N-(thiolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-cyclohexyloxy-N-ethyl-N-(thiolan-2-ylmethyl)acetamide is CCN(CC1CCCS1)C(=O)COC1CCCCC1.
What is the InChIKey of 2-cyclohexyloxy-N-ethyl-N-(thiolan-2-ylmethyl)acetamide?
The InChIKey is NORAYRXRWMDEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-2-16(11-14-9-6-10-19-14)15(17)12-18-13-7-4-3-5-8-13/h13-14H,2-12H2,1H3.
What are the key properties of 2-cyclohexyloxy-N-ethyl-N-(thiolan-2-ylmethyl)acetamide?
2-cyclohexyloxy-N-ethyl-N-(thiolan-2-ylmethyl)acetamide has a molecular weight of 285.45 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-ethyl-N-(thiolan-2-ylmethyl)acetamide is sourced from PubChem (CID 140621998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).