N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-3-thiophen-2-ylpropanamide

C18H28N2O3S — CID 110128109

IUPACN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-3-thiophen-2-ylpropanamide
SMILESCN(C(=O)CCc1cccs1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O
InChIInChI=1S/C18H28N2O3S/c1-19(17(21)8-7-14-4-3-13-24-14)15-5-2-6-16(18(15)22)20-9-11-23-12-10-20/h3-4,13,15-16,18,22H,2,5-12H2,1H3/t15-,16-,18-/m1/s1
InChIKeyFORPBOICYWJGGS-JFIYKMOQSA-N
MW352.50 g/mol
LogP1.75
Rot. Bonds5

About N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-3-thiophen-2-ylpropanamide

N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-3-thiophen-2-ylpropanamide (PubChem CID 110128109) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-3-thiophen-2-ylpropanamide
PubChem CID110128109
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-3-thiophen-2-ylpropanamide
SMILESCN(C(=O)CCc1cccs1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O
InChIInChI=1S/C18H28N2O3S/c1-19(17(21)8-7-14-4-3-13-24-14)15-5-2-6-16(18(15)22)20-9-11-23-12-10-20/h3-4,13,15-16,18,22H,2,5-12H2,1H3/t15-,16-,18-/m1/s1
InChIKeyFORPBOICYWJGGS-JFIYKMOQSA-N
XLogP1.75
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-3-thiophen-2-ylpropanamide with MolForge

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Related Compounds

3-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methylpropanamide
CID 110163970
1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95758954
N-(2-hydroxycyclohexyl)-N-methyl-2-thiophen-2-ylacetamide
CID 56920252
N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide
CID 95706035
N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide;hydrochloride
CID 119442471
1-[(4S)-4-(dimethylamino)azepan-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95726421
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
4-methyl-4-morpholin-4-yl-1-thiophen-2-ylhexan-3-one
CID 79065617
N-methyl-N-piperidin-3-yl-4-thiophen-2-ylbutanamide
CID 63642993
1-cyclobutyl-3-thiophen-2-ylpropan-1-one
CID 64982146
trans-(1S,2S)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-ol
CID 102731893
1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 43416005

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-3-thiophen-2-ylpropanamide (CID 110128109) is N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-3-thiophen-2-ylpropanamide is CN(C(=O)CCc1cccs1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O.
What is the InChIKey of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-3-thiophen-2-ylpropanamide?
The InChIKey is FORPBOICYWJGGS-JFIYKMOQSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-19(17(21)8-7-14-4-3-13-24-14)15-5-2-6-16(18(15)22)20-9-11-23-12-10-20/h3-4,13,15-16,18,22H,2,5-12H2,1H3/t15-,16-,18-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-3-thiophen-2-ylpropanamide?
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-3-thiophen-2-ylpropanamide has a molecular weight of 352.50 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110128109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).