N-[3-[[cyano(thiophen-3-yl)methyl]amino]propyl]acetamide

C11H15N3OS — CID 84817868

IUPACN-[3-[[cyano(thiophen-3-yl)methyl]amino]propyl]acetamide
SMILESCC(=O)NCCCNC(C#N)c1ccsc1
InChIInChI=1S/C11H15N3OS/c1-9(15)13-4-2-5-14-11(7-12)10-3-6-16-8-10/h3,6,8,11,14H,2,4-5H2,1H3,(H,13,15)
InChIKeyPPHBOCIVLKSCPG-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.43
Rot. Bonds6

About N-[3-[[cyano(thiophen-3-yl)methyl]amino]propyl]acetamide

N-[3-[[cyano(thiophen-3-yl)methyl]amino]propyl]acetamide (PubChem CID 84817868) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is N-[3-[[cyano(thiophen-3-yl)methyl]amino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[[cyano(thiophen-3-yl)methyl]amino]propyl]acetamide
PubChem CID84817868
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC NameN-[3-[[cyano(thiophen-3-yl)methyl]amino]propyl]acetamide
SMILESCC(=O)NCCCNC(C#N)c1ccsc1
InChIInChI=1S/C11H15N3OS/c1-9(15)13-4-2-5-14-11(7-12)10-3-6-16-8-10/h3,6,8,11,14H,2,4-5H2,1H3,(H,13,15)
InChIKeyPPHBOCIVLKSCPG-UHFFFAOYSA-N
XLogP1.43
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.43
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-[2-[[cyano(thiophen-3-yl)methyl]amino]ethyl]acetamide
CID 84816863
2-(butylamino)-2-thiophen-3-ylacetonitrile
CID 84816606
N-[3-[[cyano-(4-fluorophenyl)methyl]amino]propyl]acetamide
CID 84817840
N-[3-[[cyano-[4-(dimethylamino)phenyl]methyl]amino]propyl]acetamide
CID 84817831
2-[3-(diethylamino)propylamino]-2-thiophen-3-ylacetonitrile
CID 84817353
2-(3-methylbutylamino)-2-thiophen-3-ylacetonitrile
CID 84817819
N-[2-[[cyano-(4-methylphenyl)methyl]amino]ethyl]acetamide
CID 84816804
6-acetamido-N-(2-hydroxy-2-thiophen-3-ylethyl)hexanamide
CID 103771643
N-[2-[[1,3-benzodioxol-5-yl(cyano)methyl]amino]ethyl]acetamide
CID 84816861
2-(butylamino)-2-thiophen-3-ylacetic acid
CID 84748440
N-[(R)-cyano(thiophen-3-yl)methyl]-2-(2,6-dimethoxyphenyl)acetamide
CID 97223164
N-(3-acetamidopropyl)acetamide
CID 5147555

Frequently Asked Questions

What is the IUPAC name of N-[3-[[cyano(thiophen-3-yl)methyl]amino]propyl]acetamide?
The IUPAC name of N-[3-[[cyano(thiophen-3-yl)methyl]amino]propyl]acetamide (CID 84817868) is N-[3-[[cyano(thiophen-3-yl)methyl]amino]propyl]acetamide.
What is the SMILES notation for N-[3-[[cyano(thiophen-3-yl)methyl]amino]propyl]acetamide?
The canonical SMILES for N-[3-[[cyano(thiophen-3-yl)methyl]amino]propyl]acetamide is CC(=O)NCCCNC(C#N)c1ccsc1.
What is the InChIKey of N-[3-[[cyano(thiophen-3-yl)methyl]amino]propyl]acetamide?
The InChIKey is PPHBOCIVLKSCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-9(15)13-4-2-5-14-11(7-12)10-3-6-16-8-10/h3,6,8,11,14H,2,4-5H2,1H3,(H,13,15).
What are the key properties of N-[3-[[cyano(thiophen-3-yl)methyl]amino]propyl]acetamide?
N-[3-[[cyano(thiophen-3-yl)methyl]amino]propyl]acetamide has a molecular weight of 237.33 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[cyano(thiophen-3-yl)methyl]amino]propyl]acetamide is sourced from PubChem (CID 84817868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).