4-(2-prop-2-ynylsulfanylethylamino)piperidine-1-carboxamide

C11H19N3OS — CID 103902551

IUPAC4-(2-prop-2-ynylsulfanylethylamino)piperidine-1-carboxamide
SMILESC#CCSCCNC1CCN(C(N)=O)CC1
InChIInChI=1S/C11H19N3OS/c1-2-8-16-9-5-13-10-3-6-14(7-4-10)11(12)15/h1,10,13H,3-9H2,(H2,12,15)
InChIKeyHBALLCSGLMTJEQ-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.49
Rot. Bonds5

About 4-(2-prop-2-ynylsulfanylethylamino)piperidine-1-carboxamide

4-(2-prop-2-ynylsulfanylethylamino)piperidine-1-carboxamide (PubChem CID 103902551) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-(2-prop-2-ynylsulfanylethylamino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-prop-2-ynylsulfanylethylamino)piperidine-1-carboxamide
PubChem CID103902551
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-(2-prop-2-ynylsulfanylethylamino)piperidine-1-carboxamide
SMILESC#CCSCCNC1CCN(C(N)=O)CC1
InChIInChI=1S/C11H19N3OS/c1-2-8-16-9-5-13-10-3-6-14(7-4-10)11(12)15/h1,10,13H,3-9H2,(H2,12,15)
InChIKeyHBALLCSGLMTJEQ-UHFFFAOYSA-N
XLogP0.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-prop-2-ynylsulfanylethylamino)piperidine-1-carboxamide 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 4-(2-prop-2-ynylsulfanylethylamino)piperidine-1-carboxamide?
The IUPAC name of 4-(2-prop-2-ynylsulfanylethylamino)piperidine-1-carboxamide (CID 103902551) is 4-(2-prop-2-ynylsulfanylethylamino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-prop-2-ynylsulfanylethylamino)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-prop-2-ynylsulfanylethylamino)piperidine-1-carboxamide is C#CCSCCNC1CCN(C(N)=O)CC1.
What is the InChIKey of 4-(2-prop-2-ynylsulfanylethylamino)piperidine-1-carboxamide?
The InChIKey is HBALLCSGLMTJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-2-8-16-9-5-13-10-3-6-14(7-4-10)11(12)15/h1,10,13H,3-9H2,(H2,12,15).
What are the key properties of 4-(2-prop-2-ynylsulfanylethylamino)piperidine-1-carboxamide?
4-(2-prop-2-ynylsulfanylethylamino)piperidine-1-carboxamide has a molecular weight of 241.36 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-prop-2-ynylsulfanylethylamino)piperidine-1-carboxamide is sourced from PubChem (CID 103902551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).