N-(2-cyclopentylsulfanylethyl)cyclopropanecarboxamide

C11H19NOS — CID 94101555

IUPACN-(2-cyclopentylsulfanylethyl)cyclopropanecarboxamide
SMILESO=C(NCCSC1CCCC1)C1CC1
InChIInChI=1S/C11H19NOS/c13-11(9-5-6-9)12-7-8-14-10-3-1-2-4-10/h9-10H,1-8H2,(H,12,13)
InChIKeyJCOIRDSTMYFJLA-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.19
Rot. Bonds5

About N-(2-cyclopentylsulfanylethyl)cyclopropanecarboxamide

N-(2-cyclopentylsulfanylethyl)cyclopropanecarboxamide (PubChem CID 94101555) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylethyl)cyclopropanecarboxamide
PubChem CID94101555
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC NameN-(2-cyclopentylsulfanylethyl)cyclopropanecarboxamide
SMILESO=C(NCCSC1CCCC1)C1CC1
InChIInChI=1S/C11H19NOS/c13-11(9-5-6-9)12-7-8-14-10-3-1-2-4-10/h9-10H,1-8H2,(H,12,13)
InChIKeyJCOIRDSTMYFJLA-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.19
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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Related Compounds

4-(aminomethyl)-N-(3-cyclohexylsulfanylpropyl)cyclohexane-1-carboxamide
CID 90126063
N-(2-cyclopentylsulfanylethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 75414529
N-(3-cyclohexylsulfanylpropyl)-1-methylpiperidine-4-carboxamide
CID 99970726
1-[(4-chlorophenyl)methyl]-N-(2-cyclohexylsulfanylethyl)piperidine-4-carboxamide
CID 45015794
N-(2-cyclopentylethyl)cyclopentanecarboxamide
CID 110874283
N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopentanecarboxamide
CID 103767331
1-[(4-chlorophenyl)methyl]-N-(2-cyclohexylsulfanylethyl)piperidine-3-carboxamide
CID 43922924
4-(2-tert-butylsulfanylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674071
(3S)-1-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylsulfanylethyl)piperidine-3-carboxamide
CID 32543820
N-(2-cyclopentylsulfanylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 133161839
4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide
CID 113228177
4-(aminomethyl)-N-(3-cyclohexylsulfanylpropyl)cyclohexane-1-carboxamide;chlorobenzene;methanol;hydrate
CID 158806782

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylethyl)cyclopropanecarboxamide?
The IUPAC name of N-(2-cyclopentylsulfanylethyl)cyclopropanecarboxamide (CID 94101555) is N-(2-cyclopentylsulfanylethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylethyl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-cyclopentylsulfanylethyl)cyclopropanecarboxamide is O=C(NCCSC1CCCC1)C1CC1.
What is the InChIKey of N-(2-cyclopentylsulfanylethyl)cyclopropanecarboxamide?
The InChIKey is JCOIRDSTMYFJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c13-11(9-5-6-9)12-7-8-14-10-3-1-2-4-10/h9-10H,1-8H2,(H,12,13).
What are the key properties of N-(2-cyclopentylsulfanylethyl)cyclopropanecarboxamide?
N-(2-cyclopentylsulfanylethyl)cyclopropanecarboxamide has a molecular weight of 213.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylethyl)cyclopropanecarboxamide is sourced from PubChem (CID 94101555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).