N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-thiophen-2-ylacetamide

C14H21NOS — CID 27235346

IUPACN-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-thiophen-2-ylacetamide
SMILESC[C@H]1[C@@H](NC(=O)Cc2cccs2)CCC[C@@H]1C
InChIInChI=1S/C14H21NOS/c1-10-5-3-7-13(11(10)2)15-14(16)9-12-6-4-8-17-12/h4,6,8,10-11,13H,3,5,7,9H2,1-2H3,(H,15,16)/t10-,11+,13-/m0/s1
InChIKeySOVMQLPTWXWCEA-LOWVWBTDSA-N
MW251.39 g/mol
LogP3.23
Rot. Bonds3

About N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-thiophen-2-ylacetamide

N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-thiophen-2-ylacetamide (PubChem CID 27235346) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-thiophen-2-ylacetamide
PubChem CID27235346
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-thiophen-2-ylacetamide
SMILESC[C@H]1[C@@H](NC(=O)Cc2cccs2)CCC[C@@H]1C
InChIInChI=1S/C14H21NOS/c1-10-5-3-7-13(11(10)2)15-14(16)9-12-6-4-8-17-12/h4,6,8,10-11,13H,3,5,7,9H2,1-2H3,(H,15,16)/t10-,11+,13-/m0/s1
InChIKeySOVMQLPTWXWCEA-LOWVWBTDSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminocyclopentyl)-2-thiophen-2-ylacetamide
CID 63251271
N-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 11896927
N-(2-aminocyclohexyl)-2-thiophen-2-ylacetamide
CID 19750865
N-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide
CID 4072672
N-[3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 39948332
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
2-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]benzoic acid
CID 115923821
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 11916577
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 42951116
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 11938399
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 11938400
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 98429828

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-thiophen-2-ylacetamide (CID 27235346) is N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-thiophen-2-ylacetamide is C[C@H]1[C@@H](NC(=O)Cc2cccs2)CCC[C@@H]1C.
What is the InChIKey of N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-thiophen-2-ylacetamide?
The InChIKey is SOVMQLPTWXWCEA-LOWVWBTDSA-N. The full InChI is InChI=1S/C14H21NOS/c1-10-5-3-7-13(11(10)2)15-14(16)9-12-6-4-8-17-12/h4,6,8,10-11,13H,3,5,7,9H2,1-2H3,(H,15,16)/t10-,11+,13-/m0/s1.
What are the key properties of N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-thiophen-2-ylacetamide?
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-thiophen-2-ylacetamide has a molecular weight of 251.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 27235346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).