2-methyl-6-pentylsulfanyl-2-(propan-2-ylamino)hexanamide

C15H32N2OS — CID 107755381

IUPAC2-methyl-6-pentylsulfanyl-2-(propan-2-ylamino)hexanamide
SMILESCCCCCSCCCCC(C)(NC(C)C)C(N)=O
InChIInChI=1S/C15H32N2OS/c1-5-6-8-11-19-12-9-7-10-15(4,14(16)18)17-13(2)3/h13,17H,5-12H2,1-4H3,(H2,16,18)
InChIKeyBCHJQUUIMBYQNL-UHFFFAOYSA-N
MW288.50 g/mol
LogP3.32
Rot. Bonds12

About 2-methyl-6-pentylsulfanyl-2-(propan-2-ylamino)hexanamide

2-methyl-6-pentylsulfanyl-2-(propan-2-ylamino)hexanamide (PubChem CID 107755381) has the molecular formula C15H32N2OS and a molecular weight of 288.50 g/mol. Its IUPAC name is 2-methyl-6-pentylsulfanyl-2-(propan-2-ylamino)hexanamide.

Molecular Properties

Compound Name2-methyl-6-pentylsulfanyl-2-(propan-2-ylamino)hexanamide
PubChem CID107755381
Molecular FormulaC15H32N2OS
Molecular Weight288.50 g/mol
Exact Mass288.22
IUPAC Name2-methyl-6-pentylsulfanyl-2-(propan-2-ylamino)hexanamide
SMILESCCCCCSCCCCC(C)(NC(C)C)C(N)=O
InChIInChI=1S/C15H32N2OS/c1-5-6-8-11-19-12-9-7-10-15(4,14(16)18)17-13(2)3/h13,17H,5-12H2,1-4H3,(H2,16,18)
InChIKeyBCHJQUUIMBYQNL-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 53.32
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

2-methyl-2-(methylamino)-4-pentylsulfanylbutanamide
CID 107755391
2-methyl-2-(methylamino)heptanamide
CID 80557436
ethyl 2-methyl-3-pentylsulfanyl-2-(propan-2-ylamino)propanoate
CID 107755603
2-methyl-4-(2-methylbutylsulfanyl)-2-(propan-2-ylamino)butanamide
CID 107756126
6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanamide
CID 116535472
methyl 6-(3-hydroxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)hexanoate
CID 66128963
ethyl 5-(3-hydroxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 66129175
2-methyl-6-(2-methyloxolan-3-yl)sulfanyl-2-(propan-2-ylamino)hexanamide
CID 107755159
3-(3-methoxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanamide
CID 63855423
2-(ethylamino)-6-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylhexanamide
CID 66105628
ethyl 2-methyl-4-pentylsulfanyl-2-(propan-2-ylamino)pentanoate
CID 107755385
2-methyl-5-(2-methylsulfonylethylsulfanyl)-2-(propan-2-ylamino)pentanoic acid
CID 55246988

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-pentylsulfanyl-2-(propan-2-ylamino)hexanamide?
The IUPAC name of 2-methyl-6-pentylsulfanyl-2-(propan-2-ylamino)hexanamide (CID 107755381) is 2-methyl-6-pentylsulfanyl-2-(propan-2-ylamino)hexanamide.
What is the SMILES notation for 2-methyl-6-pentylsulfanyl-2-(propan-2-ylamino)hexanamide?
The canonical SMILES for 2-methyl-6-pentylsulfanyl-2-(propan-2-ylamino)hexanamide is CCCCCSCCCCC(C)(NC(C)C)C(N)=O.
What is the InChIKey of 2-methyl-6-pentylsulfanyl-2-(propan-2-ylamino)hexanamide?
The InChIKey is BCHJQUUIMBYQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2OS/c1-5-6-8-11-19-12-9-7-10-15(4,14(16)18)17-13(2)3/h13,17H,5-12H2,1-4H3,(H2,16,18).
What are the key properties of 2-methyl-6-pentylsulfanyl-2-(propan-2-ylamino)hexanamide?
2-methyl-6-pentylsulfanyl-2-(propan-2-ylamino)hexanamide has a molecular weight of 288.50 g/mol, XLogP of 3.32, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-pentylsulfanyl-2-(propan-2-ylamino)hexanamide is sourced from PubChem (CID 107755381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).