N-(4-cyanothian-4-yl)butanamide

C10H16N2OS — CID 15818741

IUPACN-(4-cyanothian-4-yl)butanamide
SMILESCCCC(=O)NC1(C#N)CCSCC1
InChIInChI=1S/C10H16N2OS/c1-2-3-9(13)12-10(8-11)4-6-14-7-5-10/h2-7H2,1H3,(H,12,13)
InChIKeyCYASQPHINLZJDP-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.69
Rot. Bonds3

About N-(4-cyanothian-4-yl)butanamide

N-(4-cyanothian-4-yl)butanamide (PubChem CID 15818741) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-(4-cyanothian-4-yl)butanamide.

Molecular Properties

Compound NameN-(4-cyanothian-4-yl)butanamide
PubChem CID15818741
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-(4-cyanothian-4-yl)butanamide
SMILESCCCC(=O)NC1(C#N)CCSCC1
InChIInChI=1S/C10H16N2OS/c1-2-3-9(13)12-10(8-11)4-6-14-7-5-10/h2-7H2,1H3,(H,12,13)
InChIKeyCYASQPHINLZJDP-UHFFFAOYSA-N
XLogP1.69
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-cyanothian-4-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanothian-4-yl)butanamide?
The IUPAC name of N-(4-cyanothian-4-yl)butanamide (CID 15818741) is N-(4-cyanothian-4-yl)butanamide.
What is the SMILES notation for N-(4-cyanothian-4-yl)butanamide?
The canonical SMILES for N-(4-cyanothian-4-yl)butanamide is CCCC(=O)NC1(C#N)CCSCC1.
What is the InChIKey of N-(4-cyanothian-4-yl)butanamide?
The InChIKey is CYASQPHINLZJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-2-3-9(13)12-10(8-11)4-6-14-7-5-10/h2-7H2,1H3,(H,12,13).
What are the key properties of N-(4-cyanothian-4-yl)butanamide?
N-(4-cyanothian-4-yl)butanamide has a molecular weight of 212.32 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanothian-4-yl)butanamide is sourced from PubChem (CID 15818741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).