N-[2-(1-hydroxycyclohexyl)thiophen-3-yl]acetamide

C12H17NO2S — CID 18731845

IUPACN-[2-(1-hydroxycyclohexyl)thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1C1(O)CCCCC1
InChIInChI=1S/C12H17NO2S/c1-9(14)13-10-5-8-16-11(10)12(15)6-3-2-4-7-12/h5,8,15H,2-4,6-7H2,1H3,(H,13,14)
InChIKeyKHYOFSOHRFGMPH-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.86
Rot. Bonds2

About N-[2-(1-hydroxycyclohexyl)thiophen-3-yl]acetamide

N-[2-(1-hydroxycyclohexyl)thiophen-3-yl]acetamide (PubChem CID 18731845) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[2-(1-hydroxycyclohexyl)thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1-hydroxycyclohexyl)thiophen-3-yl]acetamide
PubChem CID18731845
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-[2-(1-hydroxycyclohexyl)thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1C1(O)CCCCC1
InChIInChI=1S/C12H17NO2S/c1-9(14)13-10-5-8-16-11(10)12(15)6-3-2-4-7-12/h5,8,15H,2-4,6-7H2,1H3,(H,13,14)
InChIKeyKHYOFSOHRFGMPH-UHFFFAOYSA-N
XLogP2.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxycyclohexyl)thiophen-3-yl]acetamide?
The IUPAC name of N-[2-(1-hydroxycyclohexyl)thiophen-3-yl]acetamide (CID 18731845) is N-[2-(1-hydroxycyclohexyl)thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-(1-hydroxycyclohexyl)thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-(1-hydroxycyclohexyl)thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1C1(O)CCCCC1.
What is the InChIKey of N-[2-(1-hydroxycyclohexyl)thiophen-3-yl]acetamide?
The InChIKey is KHYOFSOHRFGMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9(14)13-10-5-8-16-11(10)12(15)6-3-2-4-7-12/h5,8,15H,2-4,6-7H2,1H3,(H,13,14).
What are the key properties of N-[2-(1-hydroxycyclohexyl)thiophen-3-yl]acetamide?
N-[2-(1-hydroxycyclohexyl)thiophen-3-yl]acetamide has a molecular weight of 239.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxycyclohexyl)thiophen-3-yl]acetamide is sourced from PubChem (CID 18731845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).