2-amino-5-methoxy-N-(6-methylsulfanylhexyl)pentanamide

C13H28N2O2S — CID 114125405

IUPAC2-amino-5-methoxy-N-(6-methylsulfanylhexyl)pentanamide
SMILESCOCCCC(N)C(=O)NCCCCCCSC
InChIInChI=1S/C13H28N2O2S/c1-17-10-7-8-12(14)13(16)15-9-5-3-4-6-11-18-2/h12H,3-11,14H2,1-2H3,(H,15,16)
InChIKeyBXUSDNNPFAWMDS-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.78
Rot. Bonds12

About 2-amino-5-methoxy-N-(6-methylsulfanylhexyl)pentanamide

2-amino-5-methoxy-N-(6-methylsulfanylhexyl)pentanamide (PubChem CID 114125405) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-(6-methylsulfanylhexyl)pentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-(6-methylsulfanylhexyl)pentanamide
PubChem CID114125405
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name2-amino-5-methoxy-N-(6-methylsulfanylhexyl)pentanamide
SMILESCOCCCC(N)C(=O)NCCCCCCSC
InChIInChI=1S/C13H28N2O2S/c1-17-10-7-8-12(14)13(16)15-9-5-3-4-6-11-18-2/h12H,3-11,14H2,1-2H3,(H,15,16)
InChIKeyBXUSDNNPFAWMDS-UHFFFAOYSA-N
XLogP1.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-methylsulfanyl-N-(6-methylsulfanylhexyl)butanamide
CID 114125345
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
2-amino-5-methoxy-N-(4-methylpentyl)pentanamide
CID 81089350
2-amino-5-methoxy-N-propylpentanamide
CID 81082005
N-(3-methoxypropyl)-2-(5-methylsulfanylpentylamino)propanamide
CID 114127252
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypentanamide
CID 81081228
(2R)-2-amino-N-(7-methyloctyl)-4-methylsulfanylbutanamide
CID 104908132
2-amino-N-(cyanomethyl)-5-methoxypentanamide
CID 81089065
(2S)-2-amino-N-(4-ethoxybutyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119288799
2-amino-N-[4-(2-methoxyethoxy)butyl]hexanamide
CID 115753308
2-amino-N-(3-aminopropyl)-4-methoxybutanamide
CID 62477474
(2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbutanamide
CID 61163444

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-(6-methylsulfanylhexyl)pentanamide?
The IUPAC name of 2-amino-5-methoxy-N-(6-methylsulfanylhexyl)pentanamide (CID 114125405) is 2-amino-5-methoxy-N-(6-methylsulfanylhexyl)pentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-(6-methylsulfanylhexyl)pentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-(6-methylsulfanylhexyl)pentanamide is COCCCC(N)C(=O)NCCCCCCSC.
What is the InChIKey of 2-amino-5-methoxy-N-(6-methylsulfanylhexyl)pentanamide?
The InChIKey is BXUSDNNPFAWMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-17-10-7-8-12(14)13(16)15-9-5-3-4-6-11-18-2/h12H,3-11,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-5-methoxy-N-(6-methylsulfanylhexyl)pentanamide?
2-amino-5-methoxy-N-(6-methylsulfanylhexyl)pentanamide has a molecular weight of 276.45 g/mol, XLogP of 1.78, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-(6-methylsulfanylhexyl)pentanamide is sourced from PubChem (CID 114125405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).