N-[4-(2-sulfanylpropan-2-yloxy)cyclohexyl]acetamide

C11H21NO2S — CID 166826160

IUPACN-[4-(2-sulfanylpropan-2-yloxy)cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(OC(C)(C)S)CC1
InChIInChI=1S/C11H21NO2S/c1-8(13)12-9-4-6-10(7-5-9)14-11(2,3)15/h9-10,15H,4-7H2,1-3H3,(H,12,13)
InChIKeyGSHMDNQXZJFCDB-UHFFFAOYSA-N
MW231.36 g/mol
LogP2.12
Rot. Bonds3

About N-[4-(2-sulfanylpropan-2-yloxy)cyclohexyl]acetamide

N-[4-(2-sulfanylpropan-2-yloxy)cyclohexyl]acetamide (PubChem CID 166826160) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-[4-(2-sulfanylpropan-2-yloxy)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-sulfanylpropan-2-yloxy)cyclohexyl]acetamide
PubChem CID166826160
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-[4-(2-sulfanylpropan-2-yloxy)cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(OC(C)(C)S)CC1
InChIInChI=1S/C11H21NO2S/c1-8(13)12-9-4-6-10(7-5-9)14-11(2,3)15/h9-10,15H,4-7H2,1-3H3,(H,12,13)
InChIKeyGSHMDNQXZJFCDB-UHFFFAOYSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-sulfanylpropan-2-yloxy)cyclohexyl]acetamide?
The IUPAC name of N-[4-(2-sulfanylpropan-2-yloxy)cyclohexyl]acetamide (CID 166826160) is N-[4-(2-sulfanylpropan-2-yloxy)cyclohexyl]acetamide.
What is the SMILES notation for N-[4-(2-sulfanylpropan-2-yloxy)cyclohexyl]acetamide?
The canonical SMILES for N-[4-(2-sulfanylpropan-2-yloxy)cyclohexyl]acetamide is CC(=O)NC1CCC(OC(C)(C)S)CC1.
What is the InChIKey of N-[4-(2-sulfanylpropan-2-yloxy)cyclohexyl]acetamide?
The InChIKey is GSHMDNQXZJFCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-8(13)12-9-4-6-10(7-5-9)14-11(2,3)15/h9-10,15H,4-7H2,1-3H3,(H,12,13).
What are the key properties of N-[4-(2-sulfanylpropan-2-yloxy)cyclohexyl]acetamide?
N-[4-(2-sulfanylpropan-2-yloxy)cyclohexyl]acetamide has a molecular weight of 231.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-sulfanylpropan-2-yloxy)cyclohexyl]acetamide is sourced from PubChem (CID 166826160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).