6-amino-N-methyl-2-[[2-(4H-thiopyran-2-yl)acetyl]amino]hexanamide

C14H23N3O2S — CID 142009870

IUPAC6-amino-N-methyl-2-[[2-(4H-thiopyran-2-yl)acetyl]amino]hexanamide
SMILESCNC(=O)C(CCCCN)NC(=O)CC1=CCC=CS1
InChIInChI=1S/C14H23N3O2S/c1-16-14(19)12(7-2-4-8-15)17-13(18)10-11-6-3-5-9-20-11/h5-6,9,12H,2-4,7-8,10,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyWFOSUSHNNNFCCI-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.27
Rot. Bonds8

About 6-amino-N-methyl-2-[[2-(4H-thiopyran-2-yl)acetyl]amino]hexanamide

6-amino-N-methyl-2-[[2-(4H-thiopyran-2-yl)acetyl]amino]hexanamide (PubChem CID 142009870) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 6-amino-N-methyl-2-[[2-(4H-thiopyran-2-yl)acetyl]amino]hexanamide.

Molecular Properties

Compound Name6-amino-N-methyl-2-[[2-(4H-thiopyran-2-yl)acetyl]amino]hexanamide
PubChem CID142009870
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name6-amino-N-methyl-2-[[2-(4H-thiopyran-2-yl)acetyl]amino]hexanamide
SMILESCNC(=O)C(CCCCN)NC(=O)CC1=CCC=CS1
InChIInChI=1S/C14H23N3O2S/c1-16-14(19)12(7-2-4-8-15)17-13(18)10-11-6-3-5-9-20-11/h5-6,9,12H,2-4,7-8,10,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyWFOSUSHNNNFCCI-UHFFFAOYSA-N
XLogP1.27
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.27
H-Bond Donors ≤ 53
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 6-amino-N-methyl-2-[[2-(4H-thiopyran-2-yl)acetyl]amino]hexanamide?
The IUPAC name of 6-amino-N-methyl-2-[[2-(4H-thiopyran-2-yl)acetyl]amino]hexanamide (CID 142009870) is 6-amino-N-methyl-2-[[2-(4H-thiopyran-2-yl)acetyl]amino]hexanamide.
What is the SMILES notation for 6-amino-N-methyl-2-[[2-(4H-thiopyran-2-yl)acetyl]amino]hexanamide?
The canonical SMILES for 6-amino-N-methyl-2-[[2-(4H-thiopyran-2-yl)acetyl]amino]hexanamide is CNC(=O)C(CCCCN)NC(=O)CC1=CCC=CS1.
What is the InChIKey of 6-amino-N-methyl-2-[[2-(4H-thiopyran-2-yl)acetyl]amino]hexanamide?
The InChIKey is WFOSUSHNNNFCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-16-14(19)12(7-2-4-8-15)17-13(18)10-11-6-3-5-9-20-11/h5-6,9,12H,2-4,7-8,10,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 6-amino-N-methyl-2-[[2-(4H-thiopyran-2-yl)acetyl]amino]hexanamide?
6-amino-N-methyl-2-[[2-(4H-thiopyran-2-yl)acetyl]amino]hexanamide has a molecular weight of 297.42 g/mol, XLogP of 1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methyl-2-[[2-(4H-thiopyran-2-yl)acetyl]amino]hexanamide is sourced from PubChem (CID 142009870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).