N-[2-(1-hydroxycyclohexyl)ethyl]-2-sulfanylacetamide

C10H19NO2S — CID 154185215

IUPACN-[2-(1-hydroxycyclohexyl)ethyl]-2-sulfanylacetamide
SMILESO=C(CS)NCCC1(O)CCCCC1
InChIInChI=1S/C10H19NO2S/c12-9(8-14)11-7-6-10(13)4-2-1-3-5-10/h13-14H,1-8H2,(H,11,12)
InChIKeyGCYIKDZLVPUQOM-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.12
Rot. Bonds4

About N-[2-(1-hydroxycyclohexyl)ethyl]-2-sulfanylacetamide

N-[2-(1-hydroxycyclohexyl)ethyl]-2-sulfanylacetamide (PubChem CID 154185215) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-[2-(1-hydroxycyclohexyl)ethyl]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(1-hydroxycyclohexyl)ethyl]-2-sulfanylacetamide
PubChem CID154185215
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-[2-(1-hydroxycyclohexyl)ethyl]-2-sulfanylacetamide
SMILESO=C(CS)NCCC1(O)CCCCC1
InChIInChI=1S/C10H19NO2S/c12-9(8-14)11-7-6-10(13)4-2-1-3-5-10/h13-14H,1-8H2,(H,11,12)
InChIKeyGCYIKDZLVPUQOM-UHFFFAOYSA-N
XLogP1.12
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxycyclohexyl)ethyl]-2-sulfanylacetamide?
The IUPAC name of N-[2-(1-hydroxycyclohexyl)ethyl]-2-sulfanylacetamide (CID 154185215) is N-[2-(1-hydroxycyclohexyl)ethyl]-2-sulfanylacetamide.
What is the SMILES notation for N-[2-(1-hydroxycyclohexyl)ethyl]-2-sulfanylacetamide?
The canonical SMILES for N-[2-(1-hydroxycyclohexyl)ethyl]-2-sulfanylacetamide is O=C(CS)NCCC1(O)CCCCC1.
What is the InChIKey of N-[2-(1-hydroxycyclohexyl)ethyl]-2-sulfanylacetamide?
The InChIKey is GCYIKDZLVPUQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c12-9(8-14)11-7-6-10(13)4-2-1-3-5-10/h13-14H,1-8H2,(H,11,12).
What are the key properties of N-[2-(1-hydroxycyclohexyl)ethyl]-2-sulfanylacetamide?
N-[2-(1-hydroxycyclohexyl)ethyl]-2-sulfanylacetamide has a molecular weight of 217.33 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxycyclohexyl)ethyl]-2-sulfanylacetamide is sourced from PubChem (CID 154185215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).