2-methyl-2-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanamide

C12H21N3O2S — CID 106925083

IUPAC2-methyl-2-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanamide
SMILESCNC(C)(CCCCSc1nc(C)co1)C(N)=O
InChIInChI=1S/C12H21N3O2S/c1-9-8-17-11(15-9)18-7-5-4-6-12(2,14-3)10(13)16/h8,14H,4-7H2,1-3H3,(H2,13,16)
InChIKeyGYRZXRLDGQHWKV-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.71
Rot. Bonds8

About 2-methyl-2-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanamide

2-methyl-2-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanamide (PubChem CID 106925083) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanamide
PubChem CID106925083
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-methyl-2-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanamide
SMILESCNC(C)(CCCCSc1nc(C)co1)C(N)=O
InChIInChI=1S/C12H21N3O2S/c1-9-8-17-11(15-9)18-7-5-4-6-12(2,14-3)10(13)16/h8,14H,4-7H2,1-3H3,(H2,13,16)
InChIKeyGYRZXRLDGQHWKV-UHFFFAOYSA-N
XLogP1.71
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.71
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanamide?
The IUPAC name of 2-methyl-2-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanamide (CID 106925083) is 2-methyl-2-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanamide is CNC(C)(CCCCSc1nc(C)co1)C(N)=O.
What is the InChIKey of 2-methyl-2-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanamide?
The InChIKey is GYRZXRLDGQHWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9-8-17-11(15-9)18-7-5-4-6-12(2,14-3)10(13)16/h8,14H,4-7H2,1-3H3,(H2,13,16).
What are the key properties of 2-methyl-2-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanamide?
2-methyl-2-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanamide has a molecular weight of 271.39 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanamide is sourced from PubChem (CID 106925083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).