N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopentanecarboxamide

C11H21NO2S — CID 103767331

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopentanecarboxamide
SMILESO=C(NCCSCCCO)C1CCCC1
InChIInChI=1S/C11H21NO2S/c13-7-3-8-15-9-6-12-11(14)10-4-1-2-5-10/h10,13H,1-9H2,(H,12,14)
InChIKeySAIYXZWTTOLBBX-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.41
Rot. Bonds7

About N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopentanecarboxamide

N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopentanecarboxamide (PubChem CID 103767331) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopentanecarboxamide
PubChem CID103767331
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopentanecarboxamide
SMILESO=C(NCCSCCCO)C1CCCC1
InChIInChI=1S/C11H21NO2S/c13-7-3-8-15-9-6-12-11(14)10-4-1-2-5-10/h10,13H,1-9H2,(H,12,14)
InChIKeySAIYXZWTTOLBBX-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 103767491
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
cis-(1S,3R)-3-[2-(3-hydroxypropylsulfanyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106305169
N-(4-hydroxybutyl)cyclopentanecarboxamide
CID 106843693
N-(6-hydroxyhexyl)cyclopentanecarboxamide
CID 70973936
N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrrolidine-2-carboxamide
CID 103950540
N-[2-(3-hydroxypropylsulfanyl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106305884
N-(2-hydroxyethyl)cyclobutanecarboxamide
CID 43389004
N-(3-bromopropyl)cyclopentanecarboxamide
CID 43133630
N-(2-cyclopentylsulfanylethyl)cyclopropanecarboxamide
CID 94101555
2-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethylsulfanyl]acetic acid
CID 119242524
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 106310786

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopentanecarboxamide (CID 103767331) is N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopentanecarboxamide is O=C(NCCSCCCO)C1CCCC1.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopentanecarboxamide?
The InChIKey is SAIYXZWTTOLBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c13-7-3-8-15-9-6-12-11(14)10-4-1-2-5-10/h10,13H,1-9H2,(H,12,14).
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopentanecarboxamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopentanecarboxamide has a molecular weight of 231.36 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 103767331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).