N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide

C13H19NO2S — CID 95706035

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide
SMILESCN(C(=O)Cc1cccs1)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C13H19NO2S/c1-14(11-6-2-3-7-12(11)15)13(16)9-10-5-4-8-17-10/h4-5,8,11-12,15H,2-3,6-7,9H2,1H3/t11-,12-/m0/s1
InChIKeyJBMBXTYZGDHTPX-RYUDHWBXSA-N
MW253.37 g/mol
LogP2.05
Rot. Bonds3

About N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide

N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide (PubChem CID 95706035) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide
PubChem CID95706035
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide
SMILESCN(C(=O)Cc1cccs1)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C13H19NO2S/c1-14(11-6-2-3-7-12(11)15)13(16)9-10-5-4-8-17-10/h4-5,8,11-12,15H,2-3,6-7,9H2,1H3/t11-,12-/m0/s1
InChIKeyJBMBXTYZGDHTPX-RYUDHWBXSA-N
XLogP2.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxycyclohexyl)-N-methyl-2-thiophen-2-ylacetamide
CID 56920252
trans-(1S,2S)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-ol
CID 102731893
2-(4-ethylphenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide
CID 95397472
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-thiophen-2-ylacetamide
CID 110125360
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol
CID 79486270
N-cyclopentyl-1-[methyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide
CID 4210660
2-(3,5-difluorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide
CID 91767128
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 47013772
2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid
CID 55145752
1-cyclohexyl-2-thiophen-2-ylethanone
CID 61056881
trans-(1R,2R)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol
CID 102734532

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide (CID 95706035) is N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide is CN(C(=O)Cc1cccs1)[C@H]1CCCC[C@@H]1O.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide?
The InChIKey is JBMBXTYZGDHTPX-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-14(11-6-2-3-7-12(11)15)13(16)9-10-5-4-8-17-10/h4-5,8,11-12,15H,2-3,6-7,9H2,1H3/t11-,12-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide has a molecular weight of 253.37 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 95706035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).