2-(cyclopropylamino)-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexanamide

C13H26N2O3S2 — CID 63660311

IUPAC2-(cyclopropylamino)-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexanamide
SMILESCC(CCCCSCCS(C)(=O)=O)(NC1CC1)C(N)=O
InChIInChI=1S/C13H26N2O3S2/c1-13(12(14)16,15-11-5-6-11)7-3-4-8-19-9-10-20(2,17)18/h11,15H,3-10H2,1-2H3,(H2,14,16)
InChIKeyDKVZLQCNJDLIBA-UHFFFAOYSA-N
MW322.50 g/mol
LogP0.93
Rot. Bonds11

About 2-(cyclopropylamino)-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexanamide

2-(cyclopropylamino)-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexanamide (PubChem CID 63660311) has the molecular formula C13H26N2O3S2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexanamide
PubChem CID63660311
Molecular FormulaC13H26N2O3S2
Molecular Weight322.50 g/mol
Exact Mass322.14
IUPAC Name2-(cyclopropylamino)-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexanamide
SMILESCC(CCCCSCCS(C)(=O)=O)(NC1CC1)C(N)=O
InChIInChI=1S/C13H26N2O3S2/c1-13(12(14)16,15-11-5-6-11)7-3-4-8-19-9-10-20(2,17)18/h11,15H,3-10H2,1-2H3,(H2,14,16)
InChIKeyDKVZLQCNJDLIBA-UHFFFAOYSA-N
XLogP0.93
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-2-methyl-4-(2-methylsulfonylethylsulfanyl)butan-1-ol
CID 64806077
2-(cyclopropylamino)-5-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-methylpentanamide
CID 114234392
ethyl 2-(cyclopropylamino)-2-methyl-6-pentylsulfanylhexanoate
CID 107755513
2-(cyclopropylamino)-2-methyl-5-(oxetan-3-ylsulfanyl)pentanamide
CID 79326236
2-(cyclopropylamino)-2-methyl-6-(2-propoxyethoxy)hexanamide
CID 63685314
2-(cyclopropylamino)-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylhexanamide
CID 63465500
2-amino-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexan-1-ol
CID 64807333
2-(cycloheptylamino)-6,6,6-trifluoro-2-methylhexanamide
CID 116535495
2-(cycloheptylamino)-2-methylnonanamide
CID 60998647
N-[3-(2-methylsulfonylethylsulfanyl)propyl]cyclopropanamine
CID 63658882
2-methyl-5-(2-methylsulfonylethylsulfanyl)-2-(propan-2-ylamino)pentanoic acid
CID 55246988
2-(cyclopropylamino)-6-(3-methoxy-3-methylbutoxy)-2-methylhexanamide
CID 106666776

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexanamide?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexanamide (CID 63660311) is 2-(cyclopropylamino)-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexanamide.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexanamide?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexanamide is CC(CCCCSCCS(C)(=O)=O)(NC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexanamide?
The InChIKey is DKVZLQCNJDLIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S2/c1-13(12(14)16,15-11-5-6-11)7-3-4-8-19-9-10-20(2,17)18/h11,15H,3-10H2,1-2H3,(H2,14,16).
What are the key properties of 2-(cyclopropylamino)-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexanamide?
2-(cyclopropylamino)-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexanamide has a molecular weight of 322.50 g/mol, XLogP of 0.93, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexanamide is sourced from PubChem (CID 63660311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).