N-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide

C13H19NO2S — CID 55064170

IUPACN-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NC1CCCCC1O
InChIInChI=1S/C13H19NO2S/c15-12-6-2-1-5-11(12)14-13(16)8-7-10-4-3-9-17-10/h3-4,9,11-12,15H,1-2,5-8H2,(H,14,16)
InChIKeyKQJWSLUJPGCNKY-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.10
Rot. Bonds4

About N-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide

N-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide (PubChem CID 55064170) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide
PubChem CID55064170
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NC1CCCCC1O
InChIInChI=1S/C13H19NO2S/c15-12-6-2-1-5-11(12)14-13(16)8-7-10-4-3-9-17-10/h3-4,9,11-12,15H,1-2,5-8H2,(H,14,16)
InChIKeyKQJWSLUJPGCNKY-UHFFFAOYSA-N
XLogP2.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(piperidin-1-ylmethyl)cyclohexyl]-3-thiophen-2-ylpropanamide
CID 74340203
N-[2-(chloromethyl)cyclohexyl]-4-thiophen-2-ylbutanamide
CID 106366998
N-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 104927828
N-[2-(hydroxymethyl)cyclopentyl]-4-thiophen-2-ylbutanamide
CID 103751345
N-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide
CID 78791745
N-[(1S,2S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpropanamide
CID 104957512
N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide
CID 110819982
N-(2-aminocyclohexyl)-2-thiophen-2-ylacetamide
CID 19750865
3-(3-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 107211275
3-(4-ethylphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 104957177
N-(1-propan-2-ylpiperidin-4-yl)-3-thiophen-2-ylpropanamide
CID 110751959
1-(cyclopentylamino)-4-thiophen-2-ylbutan-2-one
CID 116559062

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide (CID 55064170) is N-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)NC1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide?
The InChIKey is KQJWSLUJPGCNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c15-12-6-2-1-5-11(12)14-13(16)8-7-10-4-3-9-17-10/h3-4,9,11-12,15H,1-2,5-8H2,(H,14,16).
What are the key properties of N-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide?
N-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide has a molecular weight of 253.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 55064170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).