2-methyl-6-(2-methyloxolan-3-yl)sulfanyl-2-(propan-2-ylamino)hexanamide

C15H30N2O2S — CID 107755159

IUPAC2-methyl-6-(2-methyloxolan-3-yl)sulfanyl-2-(propan-2-ylamino)hexanamide
SMILESCC(C)NC(C)(CCCCSC1CCOC1C)C(N)=O
InChIInChI=1S/C15H30N2O2S/c1-11(2)17-15(4,14(16)18)8-5-6-10-20-13-7-9-19-12(13)3/h11-13,17H,5-10H2,1-4H3,(H2,16,18)
InChIKeyXJGKBNVJDDAAEB-UHFFFAOYSA-N
MW302.48 g/mol
LogP2.31
Rot. Bonds9

About 2-methyl-6-(2-methyloxolan-3-yl)sulfanyl-2-(propan-2-ylamino)hexanamide

2-methyl-6-(2-methyloxolan-3-yl)sulfanyl-2-(propan-2-ylamino)hexanamide (PubChem CID 107755159) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 2-methyl-6-(2-methyloxolan-3-yl)sulfanyl-2-(propan-2-ylamino)hexanamide.

Molecular Properties

Compound Name2-methyl-6-(2-methyloxolan-3-yl)sulfanyl-2-(propan-2-ylamino)hexanamide
PubChem CID107755159
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name2-methyl-6-(2-methyloxolan-3-yl)sulfanyl-2-(propan-2-ylamino)hexanamide
SMILESCC(C)NC(C)(CCCCSC1CCOC1C)C(N)=O
InChIInChI=1S/C15H30N2O2S/c1-11(2)17-15(4,14(16)18)8-5-6-10-20-13-7-9-19-12(13)3/h11-13,17H,5-10H2,1-4H3,(H2,16,18)
InChIKeyXJGKBNVJDDAAEB-UHFFFAOYSA-N
XLogP2.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.31
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methyloxolan-3-yl)sulfanyl-2-(propan-2-ylamino)hexanamide?
The IUPAC name of 2-methyl-6-(2-methyloxolan-3-yl)sulfanyl-2-(propan-2-ylamino)hexanamide (CID 107755159) is 2-methyl-6-(2-methyloxolan-3-yl)sulfanyl-2-(propan-2-ylamino)hexanamide.
What is the SMILES notation for 2-methyl-6-(2-methyloxolan-3-yl)sulfanyl-2-(propan-2-ylamino)hexanamide?
The canonical SMILES for 2-methyl-6-(2-methyloxolan-3-yl)sulfanyl-2-(propan-2-ylamino)hexanamide is CC(C)NC(C)(CCCCSC1CCOC1C)C(N)=O.
What is the InChIKey of 2-methyl-6-(2-methyloxolan-3-yl)sulfanyl-2-(propan-2-ylamino)hexanamide?
The InChIKey is XJGKBNVJDDAAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-11(2)17-15(4,14(16)18)8-5-6-10-20-13-7-9-19-12(13)3/h11-13,17H,5-10H2,1-4H3,(H2,16,18).
What are the key properties of 2-methyl-6-(2-methyloxolan-3-yl)sulfanyl-2-(propan-2-ylamino)hexanamide?
2-methyl-6-(2-methyloxolan-3-yl)sulfanyl-2-(propan-2-ylamino)hexanamide has a molecular weight of 302.48 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methyloxolan-3-yl)sulfanyl-2-(propan-2-ylamino)hexanamide is sourced from PubChem (CID 107755159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).