2-[3-cyano-3-(ethylamino)cyclopentyl]sulfanyl-N-propylacetamide

C13H23N3OS — CID 114234320

IUPAC2-[3-cyano-3-(ethylamino)cyclopentyl]sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSC1CCC(C#N)(NCC)C1
InChIInChI=1S/C13H23N3OS/c1-3-7-15-12(17)9-18-11-5-6-13(8-11,10-14)16-4-2/h11,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyIUNLKJQLVRXFRJ-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.67
Rot. Bonds7

About 2-[3-cyano-3-(ethylamino)cyclopentyl]sulfanyl-N-propylacetamide

2-[3-cyano-3-(ethylamino)cyclopentyl]sulfanyl-N-propylacetamide (PubChem CID 114234320) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-[3-cyano-3-(ethylamino)cyclopentyl]sulfanyl-N-propylacetamide.

Molecular Properties

Compound Name2-[3-cyano-3-(ethylamino)cyclopentyl]sulfanyl-N-propylacetamide
PubChem CID114234320
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2-[3-cyano-3-(ethylamino)cyclopentyl]sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSC1CCC(C#N)(NCC)C1
InChIInChI=1S/C13H23N3OS/c1-3-7-15-12(17)9-18-11-5-6-13(8-11,10-14)16-4-2/h11,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyIUNLKJQLVRXFRJ-UHFFFAOYSA-N
XLogP1.67
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-cyano-3-(cyclopropylamino)cyclopentyl]sulfanyl-N-ethylacetamide
CID 114234311
1-(ethylamino)-3-(3-hydroxy-2-methylpropyl)sulfanylcyclopentane-1-carbonitrile
CID 79649917
1-(ethylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentane-1-carbonitrile
CID 107754976
1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile
CID 79636546
1-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carbonitrile
CID 79650156
3-butan-2-ylsulfanyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 79650293
1-(ethylamino)-3-[2-(ethylamino)-2-oxoethyl]sulfanylcyclohexane-1-carboxylic acid
CID 114234386
3-methyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 64500336
3-(2-methoxyethylsulfanyl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79636236
2-piperidin-3-ylsulfanyl-N-propylacetamide
CID 84755018
1-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexane-1-carbonitrile
CID 79636099
1-(ethylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carbonitrile
CID 106495474

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-3-(ethylamino)cyclopentyl]sulfanyl-N-propylacetamide?
The IUPAC name of 2-[3-cyano-3-(ethylamino)cyclopentyl]sulfanyl-N-propylacetamide (CID 114234320) is 2-[3-cyano-3-(ethylamino)cyclopentyl]sulfanyl-N-propylacetamide.
What is the SMILES notation for 2-[3-cyano-3-(ethylamino)cyclopentyl]sulfanyl-N-propylacetamide?
The canonical SMILES for 2-[3-cyano-3-(ethylamino)cyclopentyl]sulfanyl-N-propylacetamide is CCCNC(=O)CSC1CCC(C#N)(NCC)C1.
What is the InChIKey of 2-[3-cyano-3-(ethylamino)cyclopentyl]sulfanyl-N-propylacetamide?
The InChIKey is IUNLKJQLVRXFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-7-15-12(17)9-18-11-5-6-13(8-11,10-14)16-4-2/h11,16H,3-9H2,1-2H3,(H,15,17).
What are the key properties of 2-[3-cyano-3-(ethylamino)cyclopentyl]sulfanyl-N-propylacetamide?
2-[3-cyano-3-(ethylamino)cyclopentyl]sulfanyl-N-propylacetamide has a molecular weight of 269.41 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyano-3-(ethylamino)cyclopentyl]sulfanyl-N-propylacetamide is sourced from PubChem (CID 114234320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).