N-[(3-hydroxycyclohexyl)methyl]-3-thiophen-2-ylpropanamide

C14H21NO2S — CID 111460498

IUPACN-[(3-hydroxycyclohexyl)methyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCC1CCCC(O)C1
InChIInChI=1S/C14H21NO2S/c16-12-4-1-3-11(9-12)10-15-14(17)7-6-13-5-2-8-18-13/h2,5,8,11-12,16H,1,3-4,6-7,9-10H2,(H,15,17)
InChIKeyMAARJGBFCVFVAJ-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.35
Rot. Bonds5

About N-[(3-hydroxycyclohexyl)methyl]-3-thiophen-2-ylpropanamide

N-[(3-hydroxycyclohexyl)methyl]-3-thiophen-2-ylpropanamide (PubChem CID 111460498) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-3-thiophen-2-ylpropanamide
PubChem CID111460498
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCC1CCCC(O)C1
InChIInChI=1S/C14H21NO2S/c16-12-4-1-3-11(9-12)10-15-14(17)7-6-13-5-2-8-18-13/h2,5,8,11-12,16H,1,3-4,6-7,9-10H2,(H,15,17)
InChIKeyMAARJGBFCVFVAJ-UHFFFAOYSA-N
XLogP2.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide
CID 93174433
N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110736265
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
N-[(3-hydroxycyclopentyl)methyl]-3-phenylpropanamide
CID 103279802
N-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide
CID 55064170
N-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide
CID 106135913
N-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide
CID 109379723
2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 106135080
4-chloro-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 106128030
3-[(dithiophen-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 103917562
1-cyclobutyl-3-thiophen-2-ylpropan-1-one
CID 64982146
N-[(4-methylmorpholin-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110710235

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-3-thiophen-2-ylpropanamide (CID 111460498) is N-[(3-hydroxycyclohexyl)methyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)NCC1CCCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-3-thiophen-2-ylpropanamide?
The InChIKey is MAARJGBFCVFVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c16-12-4-1-3-11(9-12)10-15-14(17)7-6-13-5-2-8-18-13/h2,5,8,11-12,16H,1,3-4,6-7,9-10H2,(H,15,17).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-3-thiophen-2-ylpropanamide?
N-[(3-hydroxycyclohexyl)methyl]-3-thiophen-2-ylpropanamide has a molecular weight of 267.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 111460498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).