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

C13H28N2OS — CID 114125400

IUPAC5-amino-2-methyl-N-(6-methylsulfanylhexyl)pentanamide
SMILESCSCCCCCCNC(=O)C(C)CCCN
InChIInChI=1S/C13H28N2OS/c1-12(8-7-9-14)13(16)15-10-5-3-4-6-11-17-2/h12H,3-11,14H2,1-2H3,(H,15,16)
InChIKeyQRFRPHIKZZGFTF-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.40
Rot. Bonds11

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

5-amino-2-methyl-N-(6-methylsulfanylhexyl)pentanamide (PubChem CID 114125400) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(6-methylsulfanylhexyl)pentanamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(6-methylsulfanylhexyl)pentanamide
PubChem CID114125400
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC Name5-amino-2-methyl-N-(6-methylsulfanylhexyl)pentanamide
SMILESCSCCCCCCNC(=O)C(C)CCCN
InChIInChI=1S/C13H28N2OS/c1-12(8-7-9-14)13(16)15-10-5-3-4-6-11-17-2/h12H,3-11,14H2,1-2H3,(H,15,16)
InChIKeyQRFRPHIKZZGFTF-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.40
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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Related Compounds

5-amino-2-methyl-N-(7-methyloctyl)pentanamide
CID 104684762
5-amino-2-methyl-N-pentylpentanamide
CID 104683456
4-amino-N-(3-aminopropyl)-2-methylbutanamide
CID 80543775
(2S)-2-amino-4-methylsulfanyl-N-(6-methylsulfanylhexyl)butanamide
CID 114125345
5-amino-N-ethyl-2-methylpentanamide
CID 134525204
7-[(4-amino-2-methylbutanoyl)amino]heptanoic acid
CID 80543842
2-methyl-N-nonyldecanamide
CID 141429494
(2R)-2-amino-N-(3-methylsulfanylpropyl)propanamide
CID 63957568
(2S)-N-(5-aminopentyl)-3-methoxy-2-methylpropanamide
CID 170069625
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
(2R)-2-amino-N-(7-methyloctyl)-4-methylsulfanylbutanamide
CID 104908132
2-amino-5-methoxy-N-(6-methylsulfanylhexyl)pentanamide
CID 114125405

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(6-methylsulfanylhexyl)pentanamide?
The IUPAC name of 5-amino-2-methyl-N-(6-methylsulfanylhexyl)pentanamide (CID 114125400) is 5-amino-2-methyl-N-(6-methylsulfanylhexyl)pentanamide.
What is the SMILES notation for 5-amino-2-methyl-N-(6-methylsulfanylhexyl)pentanamide?
The canonical SMILES for 5-amino-2-methyl-N-(6-methylsulfanylhexyl)pentanamide is CSCCCCCCNC(=O)C(C)CCCN.
What is the InChIKey of 5-amino-2-methyl-N-(6-methylsulfanylhexyl)pentanamide?
The InChIKey is QRFRPHIKZZGFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-12(8-7-9-14)13(16)15-10-5-3-4-6-11-17-2/h12H,3-11,14H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-2-methyl-N-(6-methylsulfanylhexyl)pentanamide?
5-amino-2-methyl-N-(6-methylsulfanylhexyl)pentanamide has a molecular weight of 260.45 g/mol, XLogP of 2.40, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(6-methylsulfanylhexyl)pentanamide is sourced from PubChem (CID 114125400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).