N-[2-(hydroxymethyl)cyclopentyl]-2-thiophen-3-ylacetamide

C12H17NO2S — CID 103774160

IUPACN-[2-(hydroxymethyl)cyclopentyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC1CCCC1CO
InChIInChI=1S/C12H17NO2S/c14-7-10-2-1-3-11(10)13-12(15)6-9-4-5-16-8-9/h4-5,8,10-11,14H,1-3,6-7H2,(H,13,15)
InChIKeyUKVDRPMHWJXNGS-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.57
Rot. Bonds4

About N-[2-(hydroxymethyl)cyclopentyl]-2-thiophen-3-ylacetamide

N-[2-(hydroxymethyl)cyclopentyl]-2-thiophen-3-ylacetamide (PubChem CID 103774160) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclopentyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclopentyl]-2-thiophen-3-ylacetamide
PubChem CID103774160
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-[2-(hydroxymethyl)cyclopentyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC1CCCC1CO
InChIInChI=1S/C12H17NO2S/c14-7-10-2-1-3-11(10)13-12(15)6-9-4-5-16-8-9/h4-5,8,10-11,14H,1-3,6-7H2,(H,13,15)
InChIKeyUKVDRPMHWJXNGS-UHFFFAOYSA-N
XLogP1.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(bromomethyl)cyclopentyl]-2-thiophen-3-ylacetamide
CID 106366410
N-[2-(chloromethyl)cyclopentyl]-2-thiophen-3-ylacetamide
CID 106365962
N-(2-hydroxycyclohexyl)-2-thiophen-3-ylacetamide
CID 62359044
1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 98787638
1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 98787637
N-[2-(hydroxymethyl)cyclopentyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 103774248
N-[2-(hydroxymethyl)cyclopentyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 103751373
N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 97235423
N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide
CID 79111056
3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 106364449
N-[2-(hydroxymethyl)cyclopentyl]-4-thiophen-2-ylbutanamide
CID 103751345
N-[2-(hydroxymethyl)cyclopentyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 103774105

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-2-thiophen-3-ylacetamide (CID 103774160) is N-[2-(hydroxymethyl)cyclopentyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclopentyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclopentyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NC1CCCC1CO.
What is the InChIKey of N-[2-(hydroxymethyl)cyclopentyl]-2-thiophen-3-ylacetamide?
The InChIKey is UKVDRPMHWJXNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-7-10-2-1-3-11(10)13-12(15)6-9-4-5-16-8-9/h4-5,8,10-11,14H,1-3,6-7H2,(H,13,15).
What are the key properties of N-[2-(hydroxymethyl)cyclopentyl]-2-thiophen-3-ylacetamide?
N-[2-(hydroxymethyl)cyclopentyl]-2-thiophen-3-ylacetamide has a molecular weight of 239.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclopentyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 103774160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).