2-(3-aminopropylsulfanyl)-N-(1-cyanocyclopentyl)acetamide

C11H19N3OS — CID 66218066

IUPAC2-(3-aminopropylsulfanyl)-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)CSCCCN)CCCC1
InChIInChI=1S/C11H19N3OS/c12-6-3-7-16-8-10(15)14-11(9-13)4-1-2-5-11/h1-8,12H2,(H,14,15)
InChIKeyMEDBCBFJHHSOLY-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.02
Rot. Bonds6

About 2-(3-aminopropylsulfanyl)-N-(1-cyanocyclopentyl)acetamide

2-(3-aminopropylsulfanyl)-N-(1-cyanocyclopentyl)acetamide (PubChem CID 66218066) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(3-aminopropylsulfanyl)-N-(1-cyanocyclopentyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopropylsulfanyl)-N-(1-cyanocyclopentyl)acetamide
PubChem CID66218066
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-(3-aminopropylsulfanyl)-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)CSCCCN)CCCC1
InChIInChI=1S/C11H19N3OS/c12-6-3-7-16-8-10(15)14-11(9-13)4-1-2-5-11/h1-8,12H2,(H,14,15)
InChIKeyMEDBCBFJHHSOLY-UHFFFAOYSA-N
XLogP1.02
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyanocyclopentyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 43392467
2-(3-aminobutylsulfanyl)-N-(1-cyanocyclohexyl)acetamide
CID 66232359
N-(1-cyanocyclopentyl)propanamide
CID 55029198
2-(azetidin-3-ylmethylsulfanyl)-N-(1-cyanocyclopentyl)acetamide
CID 66290522
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] N'-aminocarbamimidothioate
CID 77060049
[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl] N'-aminocarbamimidothioate
CID 77060805
N-(1-cyanocyclooctyl)-3-methylsulfanylpropanamide
CID 60968545
2-bromo-N-(1-cyanocycloheptyl)acetamide
CID 63680243
N-(1-cyanocyclohexyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7468590
2-[2-aminoethyl(methyl)amino]-N-(1-cyanocyclohexyl)acetamide
CID 62687725
2-[[4-(2-aminoethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclopentyl)acetamide
CID 65294540
N-(1-cyanocyclopentyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111538101

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylsulfanyl)-N-(1-cyanocyclopentyl)acetamide?
The IUPAC name of 2-(3-aminopropylsulfanyl)-N-(1-cyanocyclopentyl)acetamide (CID 66218066) is 2-(3-aminopropylsulfanyl)-N-(1-cyanocyclopentyl)acetamide.
What is the SMILES notation for 2-(3-aminopropylsulfanyl)-N-(1-cyanocyclopentyl)acetamide?
The canonical SMILES for 2-(3-aminopropylsulfanyl)-N-(1-cyanocyclopentyl)acetamide is N#CC1(NC(=O)CSCCCN)CCCC1.
What is the InChIKey of 2-(3-aminopropylsulfanyl)-N-(1-cyanocyclopentyl)acetamide?
The InChIKey is MEDBCBFJHHSOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c12-6-3-7-16-8-10(15)14-11(9-13)4-1-2-5-11/h1-8,12H2,(H,14,15).
What are the key properties of 2-(3-aminopropylsulfanyl)-N-(1-cyanocyclopentyl)acetamide?
2-(3-aminopropylsulfanyl)-N-(1-cyanocyclopentyl)acetamide has a molecular weight of 241.36 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylsulfanyl)-N-(1-cyanocyclopentyl)acetamide is sourced from PubChem (CID 66218066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).