2-(ethylamino)-6-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylhexanamide

C13H28N2O2S — CID 66105628

IUPAC2-(ethylamino)-6-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylhexanamide
SMILESCCNC(C)(CCCCSCC(C)CO)C(N)=O
InChIInChI=1S/C13H28N2O2S/c1-4-15-13(3,12(14)17)7-5-6-8-18-10-11(2)9-16/h11,15-16H,4-10H2,1-3H3,(H2,14,17)
InChIKeyBFIZYXUIRBAHCK-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.37
Rot. Bonds11

About 2-(ethylamino)-6-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylhexanamide

2-(ethylamino)-6-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylhexanamide (PubChem CID 66105628) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 2-(ethylamino)-6-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylhexanamide.

Molecular Properties

Compound Name2-(ethylamino)-6-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylhexanamide
PubChem CID66105628
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name2-(ethylamino)-6-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylhexanamide
SMILESCCNC(C)(CCCCSCC(C)CO)C(N)=O
InChIInChI=1S/C13H28N2O2S/c1-4-15-13(3,12(14)17)7-5-6-8-18-10-11(2)9-16/h11,15-16H,4-10H2,1-3H3,(H2,14,17)
InChIKeyBFIZYXUIRBAHCK-UHFFFAOYSA-N
XLogP1.37
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.37
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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Related Compounds

methyl 2-amino-6-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylhexanoate
CID 66105630
2-methyl-6-pentylsulfanyl-2-(propan-2-ylamino)hexanamide
CID 107755381
2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanamide
CID 79481793
2-methyl-4-(2-methylbutylsulfanyl)-2-(propan-2-ylamino)butanamide
CID 107756126
ethyl 4-(3-hydroxy-2-methylpropyl)sulfanyl-2-methyl-2-(methylamino)butanoate
CID 66105863
2-(ethylamino)-2-methyl-5-(2-methylpentoxy)pentanamide
CID 103284877
3-dodecylsulfanyl-2-methylpropan-1-ol
CID 66103592
ethyl 6-(3-hydroxy-2-methylpropyl)sulfanylhexanoate
CID 66105497
2-(ethylamino)-6-[2-(2-methoxyethoxy)ethoxy]-2-methylhexanamide
CID 104565452
methyl 2-amino-2-methyl-6-(2-methylbutylsulfanyl)hexanoate
CID 107756061
2-(ethylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanamide
CID 55247550
2-(ethylamino)-2-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]hexanamide
CID 104603842

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylhexanamide?
The IUPAC name of 2-(ethylamino)-6-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylhexanamide (CID 66105628) is 2-(ethylamino)-6-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylhexanamide.
What is the SMILES notation for 2-(ethylamino)-6-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylhexanamide?
The canonical SMILES for 2-(ethylamino)-6-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylhexanamide is CCNC(C)(CCCCSCC(C)CO)C(N)=O.
What is the InChIKey of 2-(ethylamino)-6-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylhexanamide?
The InChIKey is BFIZYXUIRBAHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-15-13(3,12(14)17)7-5-6-8-18-10-11(2)9-16/h11,15-16H,4-10H2,1-3H3,(H2,14,17).
What are the key properties of 2-(ethylamino)-6-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylhexanamide?
2-(ethylamino)-6-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylhexanamide has a molecular weight of 276.45 g/mol, XLogP of 1.37, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylhexanamide is sourced from PubChem (CID 66105628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).