N-[2-(2-hydroxyethyl)pentyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C13H25NO2S — CID 106118463

IUPACN-[2-(2-hydroxyethyl)pentyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCCCC(CCO)CNC(=O)CC1(CS)CC1
InChIInChI=1S/C13H25NO2S/c1-2-3-11(4-7-15)9-14-12(16)8-13(10-17)5-6-13/h11,15,17H,2-10H2,1H3,(H,14,16)
InChIKeyYXRLNZHRSBRWCH-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.00
Rot. Bonds9

About N-[2-(2-hydroxyethyl)pentyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-[2-(2-hydroxyethyl)pentyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 106118463) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID106118463
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCCCC(CCO)CNC(=O)CC1(CS)CC1
InChIInChI=1S/C13H25NO2S/c1-2-3-11(4-7-15)9-14-12(16)8-13(10-17)5-6-13/h11,15,17H,2-10H2,1H3,(H,14,16)
InChIKeyYXRLNZHRSBRWCH-UHFFFAOYSA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 106118463) is N-[2-(2-hydroxyethyl)pentyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is CCCC(CCO)CNC(=O)CC1(CS)CC1.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is YXRLNZHRSBRWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-2-3-11(4-7-15)9-14-12(16)8-13(10-17)5-6-13/h11,15,17H,2-10H2,1H3,(H,14,16).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-[2-(2-hydroxyethyl)pentyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 259.41 g/mol, XLogP of 2.00, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 106118463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).