5-[(5-amino-2-pyridinyl)sulfanyl]pentanenitrile

C10H13N3S — CID 43300899

IUPAC5-[(5-amino-2-pyridinyl)sulfanyl]pentanenitrile
SMILESN#CCCCCSc1ccc(N)cn1
InChIInChI=1S/C10H13N3S/c11-6-2-1-3-7-14-10-5-4-9(12)8-13-10/h4-5,8H,1-3,7,12H2
InChIKeyTVXZNPCNZONZRA-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.45
Rot. Bonds5

About 5-[(5-amino-2-pyridinyl)sulfanyl]pentanenitrile

5-[(5-amino-2-pyridinyl)sulfanyl]pentanenitrile (PubChem CID 43300899) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 5-[(5-amino-2-pyridinyl)sulfanyl]pentanenitrile.

Molecular Properties

Compound Name5-[(5-amino-2-pyridinyl)sulfanyl]pentanenitrile
PubChem CID43300899
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name5-[(5-amino-2-pyridinyl)sulfanyl]pentanenitrile
SMILESN#CCCCCSc1ccc(N)cn1
InChIInChI=1S/C10H13N3S/c11-6-2-1-3-7-14-10-5-4-9(12)8-13-10/h4-5,8H,1-3,7,12H2
InChIKeyTVXZNPCNZONZRA-UHFFFAOYSA-N
XLogP2.45
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-[(5-amino-2-pyridinyl)sulfanyl]pentanenitrile?
The IUPAC name of 5-[(5-amino-2-pyridinyl)sulfanyl]pentanenitrile (CID 43300899) is 5-[(5-amino-2-pyridinyl)sulfanyl]pentanenitrile.
What is the SMILES notation for 5-[(5-amino-2-pyridinyl)sulfanyl]pentanenitrile?
The canonical SMILES for 5-[(5-amino-2-pyridinyl)sulfanyl]pentanenitrile is N#CCCCCSc1ccc(N)cn1.
What is the InChIKey of 5-[(5-amino-2-pyridinyl)sulfanyl]pentanenitrile?
The InChIKey is TVXZNPCNZONZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c11-6-2-1-3-7-14-10-5-4-9(12)8-13-10/h4-5,8H,1-3,7,12H2.
What are the key properties of 5-[(5-amino-2-pyridinyl)sulfanyl]pentanenitrile?
5-[(5-amino-2-pyridinyl)sulfanyl]pentanenitrile has a molecular weight of 207.30 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-2-pyridinyl)sulfanyl]pentanenitrile is sourced from PubChem (CID 43300899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).