6-amino-N-(thian-2-ylmethyl)hexanamide

C12H24N2OS — CID 80599983

IUPAC6-amino-N-(thian-2-ylmethyl)hexanamide
SMILESNCCCCCC(=O)NCC1CCCCS1
InChIInChI=1S/C12H24N2OS/c13-8-4-1-2-7-12(15)14-10-11-6-3-5-9-16-11/h11H,1-10,13H2,(H,14,15)
InChIKeyUVKPUNFXYNJEGV-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.91
Rot. Bonds7

About 6-amino-N-(thian-2-ylmethyl)hexanamide

6-amino-N-(thian-2-ylmethyl)hexanamide (PubChem CID 80599983) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 6-amino-N-(thian-2-ylmethyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(thian-2-ylmethyl)hexanamide
PubChem CID80599983
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name6-amino-N-(thian-2-ylmethyl)hexanamide
SMILESNCCCCCC(=O)NCC1CCCCS1
InChIInChI=1S/C12H24N2OS/c13-8-4-1-2-7-12(15)14-10-11-6-3-5-9-16-11/h11H,1-10,13H2,(H,14,15)
InChIKeyUVKPUNFXYNJEGV-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-amino-N-(thian-2-ylmethyl)hexanamide?
The IUPAC name of 6-amino-N-(thian-2-ylmethyl)hexanamide (CID 80599983) is 6-amino-N-(thian-2-ylmethyl)hexanamide.
What is the SMILES notation for 6-amino-N-(thian-2-ylmethyl)hexanamide?
The canonical SMILES for 6-amino-N-(thian-2-ylmethyl)hexanamide is NCCCCCC(=O)NCC1CCCCS1.
What is the InChIKey of 6-amino-N-(thian-2-ylmethyl)hexanamide?
The InChIKey is UVKPUNFXYNJEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c13-8-4-1-2-7-12(15)14-10-11-6-3-5-9-16-11/h11H,1-10,13H2,(H,14,15).
What are the key properties of 6-amino-N-(thian-2-ylmethyl)hexanamide?
6-amino-N-(thian-2-ylmethyl)hexanamide has a molecular weight of 244.40 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(thian-2-ylmethyl)hexanamide is sourced from PubChem (CID 80599983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).