N-[1-(hydroxymethyl)cyclopentyl]-2-(thian-4-yl)acetamide

C13H23NO2S — CID 83135530

IUPACN-[1-(hydroxymethyl)cyclopentyl]-2-(thian-4-yl)acetamide
SMILESO=C(CC1CCSCC1)NC1(CO)CCCC1
InChIInChI=1S/C13H23NO2S/c15-10-13(5-1-2-6-13)14-12(16)9-11-3-7-17-8-4-11/h11,15H,1-10H2,(H,14,16)
InChIKeyFXVFSEBGZDZUPR-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.94
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclopentyl]-2-(thian-4-yl)acetamide

N-[1-(hydroxymethyl)cyclopentyl]-2-(thian-4-yl)acetamide (PubChem CID 83135530) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-2-(thian-4-yl)acetamide
PubChem CID83135530
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-2-(thian-4-yl)acetamide
SMILESO=C(CC1CCSCC1)NC1(CO)CCCC1
InChIInChI=1S/C13H23NO2S/c15-10-13(5-1-2-6-13)14-12(16)9-11-3-7-17-8-4-11/h11,15H,1-10H2,(H,14,16)
InChIKeyFXVFSEBGZDZUPR-UHFFFAOYSA-N
XLogP1.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]-2-(thian-4-yl)acetamide
CID 115878099
2-cyclopentyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62517307
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(thian-4-yl)acetamide
CID 83135926
2-cyclohexyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62518543
N-[1-(hydroxymethyl)cyclohexyl]-2-piperidin-4-ylacetamide
CID 62551511
N-(1-cyanocyclopentyl)-2-(thian-4-yl)acetamide
CID 80709497
N-[1-(hydroxymethyl)cyclohexyl]-2-thiomorpholin-3-ylacetamide
CID 66422291
2-cyclopropyl-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 104630587
N-[1-(bromomethyl)-4-methylcyclohexyl]-2-(thian-4-yl)acetamide
CID 83135565
N-[1-(bromomethyl)cyclohexyl]-2-cyclopentylacetamide
CID 114314127
N-[1-(chloromethyl)cyclopentyl]-2-cycloheptylacetamide
CID 114459061
3-cyclohexyl-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 62517314

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-2-(thian-4-yl)acetamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-2-(thian-4-yl)acetamide (CID 83135530) is N-[1-(hydroxymethyl)cyclopentyl]-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-2-(thian-4-yl)acetamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-2-(thian-4-yl)acetamide is O=C(CC1CCSCC1)NC1(CO)CCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-2-(thian-4-yl)acetamide?
The InChIKey is FXVFSEBGZDZUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c15-10-13(5-1-2-6-13)14-12(16)9-11-3-7-17-8-4-11/h11,15H,1-10H2,(H,14,16).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-2-(thian-4-yl)acetamide?
N-[1-(hydroxymethyl)cyclopentyl]-2-(thian-4-yl)acetamide has a molecular weight of 257.40 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-2-(thian-4-yl)acetamide is sourced from PubChem (CID 83135530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).