N-(2-cyclopentylsulfanylethyl)cyclohexanecarboxamide

C14H25NOS — CID 83278374

IUPACN-(2-cyclopentylsulfanylethyl)cyclohexanecarboxamide
SMILESO=C(NCCSC1CCCC1)C1CCCCC1
InChIInChI=1S/C14H25NOS/c16-14(12-6-2-1-3-7-12)15-10-11-17-13-8-4-5-9-13/h12-13H,1-11H2,(H,15,16)
InChIKeyLTNCRXXTVVTFBL-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.36
Rot. Bonds5

About N-(2-cyclopentylsulfanylethyl)cyclohexanecarboxamide

N-(2-cyclopentylsulfanylethyl)cyclohexanecarboxamide (PubChem CID 83278374) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylethyl)cyclohexanecarboxamide
PubChem CID83278374
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC NameN-(2-cyclopentylsulfanylethyl)cyclohexanecarboxamide
SMILESO=C(NCCSC1CCCC1)C1CCCCC1
InChIInChI=1S/C14H25NOS/c16-14(12-6-2-1-3-7-12)15-10-11-17-13-8-4-5-9-13/h12-13H,1-11H2,(H,15,16)
InChIKeyLTNCRXXTVVTFBL-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylethyl)cyclohexanecarboxamide?
The IUPAC name of N-(2-cyclopentylsulfanylethyl)cyclohexanecarboxamide (CID 83278374) is N-(2-cyclopentylsulfanylethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-cyclopentylsulfanylethyl)cyclohexanecarboxamide is O=C(NCCSC1CCCC1)C1CCCCC1.
What is the InChIKey of N-(2-cyclopentylsulfanylethyl)cyclohexanecarboxamide?
The InChIKey is LTNCRXXTVVTFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c16-14(12-6-2-1-3-7-12)15-10-11-17-13-8-4-5-9-13/h12-13H,1-11H2,(H,15,16).
What are the key properties of N-(2-cyclopentylsulfanylethyl)cyclohexanecarboxamide?
N-(2-cyclopentylsulfanylethyl)cyclohexanecarboxamide has a molecular weight of 255.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylethyl)cyclohexanecarboxamide is sourced from PubChem (CID 83278374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).